tert-butyl N-(5-fluoro-1-methylpyrazol-4-yl)carbamate;tert-butyl N-(1-methylpyrazol-4-yl)carbamate;N-[(2R)-1-(6-chloro-5-isocyanopyrazin-2-yl)-2-methylpiperidin-3-yl]-4-cyclopropylbenzamide;N-[(2R,3R)-1-[5-cyano-6-[(5-fluoro-1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-4-cyclopropylbenzamide;5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(5-fluoro-1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;bis(5-fluoro-1-methylpyrazol-4-amine);1-methylpyrazol-4-amine

C101H126ClF5N36O8 — CID 162167452

About tert-butyl N-(5-fluoro-1-methylpyrazol-4-yl)carbamate;tert-butyl N-(1-methylpyrazol-4-yl)carbamate;N-[(2R)-1-(6-chloro-5-isocyanopyrazin-2-yl)-2-methylpiperidin-3-yl]-4-cyclopropylbenzamide;N-[(2R,3R)-1-[5-cyano-6-[(5-fluoro-1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-4-cyclopropylbenzamide;5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(5-fluoro-1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;bis(5-fluoro-1-methylpyrazol-4-amine);1-methylpyrazol-4-amine

tert-butyl N-(5-fluoro-1-methylpyrazol-4-yl)carbamate;tert-butyl N-(1-methylpyrazol-4-yl)carbamate;N-[(2R)-1-(6-chloro-5-isocyanopyrazin-2-yl)-2-methylpiperidin-3-yl]-4-cyclopropylbenzamide;N-[(2R,3R)-1-[5-cyano-6-[(5-fluoro-1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-4-cyclopropylbenzamide;5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(5-fluoro-1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;bis(5-fluoro-1-methylpyrazol-4-amine);1-methylpyrazol-4-amine (PubChem CID 162167452) has the molecular formula C101H126ClF5N36O8 and a molecular weight of 2102.81 g/mol. Its IUPAC name is tert-butyl N-(5-fluoro-1-methylpyrazol-4-yl)carbamate;tert-butyl N-(1-methylpyrazol-4-yl)carbamate;N-[(2R)-1-(6-chloro-5-isocyanopyrazin-2-yl)-2-methylpiperidin-3-yl]-4-cyclopropylbenzamide;N-[(2R,3R)-1-[5-cyano-6-[(5-fluoro-1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-4-cyclopropylbenzamide;5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(5-fluoro-1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;bis(5-fluoro-1-methylpyrazol-4-amine);1-methylpyrazol-4-amine.

Molecular Properties

• Compound Name: tert-butyl N-(5-fluoro-1-methylpyrazol-4-yl)carbamate;tert-butyl N-(1-methylpyrazol-4-yl)carbamate;N-[(2R)-1-(6-chloro-5-isocyanopyrazin-2-yl)-2-methylpiperidin-3-yl]-4-cyclopropylbenzamide;N-[(2R,3R)-1-[5-cyano-6-[(5-fluoro-1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-4-cyclopropylbenzamide;5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(5-fluoro-1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;bis(5-fluoro-1-methylpyrazol-4-amine);1-methylpyrazol-4-amine
• PubChem CID: 162167452
• Molecular Formula: C101H126ClF5N36O8
• Molecular Weight: 2102.81 g/mol
• Exact Mass: 2101.02
• IUPAC Name: tert-butyl N-(5-fluoro-1-methylpyrazol-4-yl)carbamate;tert-butyl N-(1-methylpyrazol-4-yl)carbamate;N-[(2R)-1-(6-chloro-5-isocyanopyrazin-2-yl)-2-methylpiperidin-3-yl]-4-cyclopropylbenzamide;N-[(2R,3R)-1-[5-cyano-6-[(5-fluoro-1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-4-cyclopropylbenzamide;5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(5-fluoro-1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;bis(5-fluoro-1-methylpyrazol-4-amine);1-methylpyrazol-4-amine
• SMILES: C[C@@H]1[C@H](NC(=O)c2ccc(C3CC3)cc2)CCCN1c1cnc(C#N)c(Nc2cnn(C)c2F)n1.C[C@@H]1[C@H](NC(=O)c2ccc(C3CC3)cc2)CCCN1c1cnc(C(N)=O)c(Nc2cnn(C)c2F)n1.Cn1cc(N)cn1.Cn1cc(NC(=O)OC(C)(C)C)cn1.Cn1ncc(N)c1F.Cn1ncc(N)c1F.Cn1ncc(NC(=O)OC(C)(C)C)c1F.[C-]#[N+]c1ncc(N2CCCC(NC(=O)c3ccc(C4CC4)cc3)[C@H]2C)nc1Cl
• InChI: InChI=1S/C25H29FN8O2.C25H27FN8O.C21H22ClN5O.C9H14FN3O2.C9H15N3O2.2C4H6FN3.C4H7N3/c1-14-18(31-25(36)17-9-7-16(8-10-17)15-5-6-15)4-3-11-34(14)20-13-28-21(23(27)35)24(32-20)30-19-12-29-33(2)22(19)26;1-15-19(31-25(35)18-9-7-17(8-10-18)16-5-6-16)4-3-11-34(15)22-14-28-20(12-27)24(32-22)30-21-13-29-33(2)23(21)26;1-13-17(25-21(28)16-9-7-15(8-10-16)14-5-6-14)4-3-11-27(13)18-12-24-20(23-2)19(22)26-18;1-9(2,3)15-8(14)12-6-5-11-13(4)7(6)10;1-9(2,3)14-8(13)11-7-5-10-12(4)6-7;2*1-8-4(5)3(6)2-7-8;1-7-3-4(5)2-6-7/h7-10,12-15,18H,3-6,11H2,1-2H3,(H2,27,35)(H,30,32)(H,31,36);7-10,13-16,19H,3-6,11H2,1-2H3,(H,30,32)(H,31,35);7-10,12-14,17H,3-6,11H2,1H3,(H,25,28);5H,1-4H3,(H,12,14);5-6H,1-4H3,(H,11,13);2*2H,6H2,1H3;2-3H,5H2,1H3/t14-,18-;15-,19-;13-,17?;;;;;/m111...../s1
• InChIKey: ZNICIEIJKCWUJB-BKYVHUBLSA-N
• XLogP: 14.79
• TPSA: 549.12 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 37
• Rotatable Bonds: 19
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2102.81
LogP ≤ 5	14.79
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-fluoro-1-methylpyrazol-4-yl)carbamate;tert-butyl N-(1-methylpyrazol-4-yl)carbamate;N-[(2R)-1-(6-chloro-5-isocyanopyrazin-2-yl)-2-methylpiperidin-3-yl]-4-cyclopropylbenzamide;N-[(2R,3R)-1-[5-cyano-6-[(5-fluoro-1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-4-cyclopropylbenzamide;5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(5-fluoro-1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;bis(5-fluoro-1-methylpyrazol-4-amine);1-methylpyrazol-4-amine?

The IUPAC name of tert-butyl N-(5-fluoro-1-methylpyrazol-4-yl)carbamate;tert-butyl N-(1-methylpyrazol-4-yl)carbamate;N-[(2R)-1-(6-chloro-5-isocyanopyrazin-2-yl)-2-methylpiperidin-3-yl]-4-cyclopropylbenzamide;N-[(2R,3R)-1-[5-cyano-6-[(5-fluoro-1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-4-cyclopropylbenzamide;5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(5-fluoro-1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;bis(5-fluoro-1-methylpyrazol-4-amine);1-methylpyrazol-4-amine (CID 162167452) is tert-butyl N-(5-fluoro-1-methylpyrazol-4-yl)carbamate;tert-butyl N-(1-methylpyrazol-4-yl)carbamate;N-[(2R)-1-(6-chloro-5-isocyanopyrazin-2-yl)-2-methylpiperidin-3-yl]-4-cyclopropylbenzamide;N-[(2R,3R)-1-[5-cyano-6-[(5-fluoro-1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-4-cyclopropylbenzamide;5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(5-fluoro-1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;bis(5-fluoro-1-methylpyrazol-4-amine);1-methylpyrazol-4-amine.

What is the SMILES notation for tert-butyl N-(5-fluoro-1-methylpyrazol-4-yl)carbamate;tert-butyl N-(1-methylpyrazol-4-yl)carbamate;N-[(2R)-1-(6-chloro-5-isocyanopyrazin-2-yl)-2-methylpiperidin-3-yl]-4-cyclopropylbenzamide;N-[(2R,3R)-1-[5-cyano-6-[(5-fluoro-1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-4-cyclopropylbenzamide;5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(5-fluoro-1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;bis(5-fluoro-1-methylpyrazol-4-amine);1-methylpyrazol-4-amine?

The canonical SMILES for tert-butyl N-(5-fluoro-1-methylpyrazol-4-yl)carbamate;tert-butyl N-(1-methylpyrazol-4-yl)carbamate;N-[(2R)-1-(6-chloro-5-isocyanopyrazin-2-yl)-2-methylpiperidin-3-yl]-4-cyclopropylbenzamide;N-[(2R,3R)-1-[5-cyano-6-[(5-fluoro-1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-4-cyclopropylbenzamide;5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(5-fluoro-1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;bis(5-fluoro-1-methylpyrazol-4-amine);1-methylpyrazol-4-amine is C[C@@H]1[C@H](NC(=O)c2ccc(C3CC3)cc2)CCCN1c1cnc(C#N)c(Nc2cnn(C)c2F)n1.C[C@@H]1[C@H](NC(=O)c2ccc(C3CC3)cc2)CCCN1c1cnc(C(N)=O)c(Nc2cnn(C)c2F)n1.Cn1cc(N)cn1.Cn1cc(NC(=O)OC(C)(C)C)cn1.Cn1ncc(N)c1F.Cn1ncc(N)c1F.Cn1ncc(NC(=O)OC(C)(C)C)c1F.[C-]#[N+]c1ncc(N2CCCC(NC(=O)c3ccc(C4CC4)cc3)[C@H]2C)nc1Cl.

What is the InChIKey of tert-butyl N-(5-fluoro-1-methylpyrazol-4-yl)carbamate;tert-butyl N-(1-methylpyrazol-4-yl)carbamate;N-[(2R)-1-(6-chloro-5-isocyanopyrazin-2-yl)-2-methylpiperidin-3-yl]-4-cyclopropylbenzamide;N-[(2R,3R)-1-[5-cyano-6-[(5-fluoro-1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-4-cyclopropylbenzamide;5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(5-fluoro-1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;bis(5-fluoro-1-methylpyrazol-4-amine);1-methylpyrazol-4-amine?

The InChIKey is ZNICIEIJKCWUJB-BKYVHUBLSA-N. The full InChI is InChI=1S/C25H29FN8O2.C25H27FN8O.C21H22ClN5O.C9H14FN3O2.C9H15N3O2.2C4H6FN3.C4H7N3/c1-14-18(31-25(36)17-9-7-16(8-10-17)15-5-6-15)4-3-11-34(14)20-13-28-21(23(27)35)24(32-20)30-19-12-29-33(2)22(19)26;1-15-19(31-25(35)18-9-7-17(8-10-18)16-5-6-16)4-3-11-34(15)22-14-28-20(12-27)24(32-22)30-21-13-29-33(2)23(21)26;1-13-17(25-21(28)16-9-7-15(8-10-16)14-5-6-14)4-3-11-27(13)18-12-24-20(23-2)19(22)26-18;1-9(2,3)15-8(14)12-6-5-11-13(4)7(6)10;1-9(2,3)14-8(13)11-7-5-10-12(4)6-7;2*1-8-4(5)3(6)2-7-8;1-7-3-4(5)2-6-7/h7-10,12-15,18H,3-6,11H2,1-2H3,(H2,27,35)(H,30,32)(H,31,36);7-10,13-16,19H,3-6,11H2,1-2H3,(H,30,32)(H,31,35);7-10,12-14,17H,3-6,11H2,1H3,(H,25,28);5H,1-4H3,(H,12,14);5-6H,1-4H3,(H,11,13);2*2H,6H2,1H3;2-3H,5H2,1H3/t14-,18-;15-,19-;13-,17?;;;;;/m111...../s1.

What are the key properties of tert-butyl N-(5-fluoro-1-methylpyrazol-4-yl)carbamate;tert-butyl N-(1-methylpyrazol-4-yl)carbamate;N-[(2R)-1-(6-chloro-5-isocyanopyrazin-2-yl)-2-methylpiperidin-3-yl]-4-cyclopropylbenzamide;N-[(2R,3R)-1-[5-cyano-6-[(5-fluoro-1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-4-cyclopropylbenzamide;5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(5-fluoro-1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;bis(5-fluoro-1-methylpyrazol-4-amine);1-methylpyrazol-4-amine?

tert-butyl N-(5-fluoro-1-methylpyrazol-4-yl)carbamate;tert-butyl N-(1-methylpyrazol-4-yl)carbamate;N-[(2R)-1-(6-chloro-5-isocyanopyrazin-2-yl)-2-methylpiperidin-3-yl]-4-cyclopropylbenzamide;N-[(2R,3R)-1-[5-cyano-6-[(5-fluoro-1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-4-cyclopropylbenzamide;5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(5-fluoro-1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;bis(5-fluoro-1-methylpyrazol-4-amine);1-methylpyrazol-4-amine has a molecular weight of 2102.81 g/mol, XLogP of 14.79, 19 rotatable bonds, 11 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-(5-fluoro-1-methylpyrazol-4-yl)carbamate;tert-butyl N-(1-methylpyrazol-4-yl)carbamate;N-[(2R)-1-(6-chloro-5-isocyanopyrazin-2-yl)-2-methylpiperidin-3-yl]-4-cyclopropylbenzamide;N-[(2R,3R)-1-[5-cyano-6-[(5-fluoro-1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-4-cyclopropylbenzamide;5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(5-fluoro-1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;bis(5-fluoro-1-methylpyrazol-4-amine);1-methylpyrazol-4-amine is sourced from PubChem (CID 162167452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).