N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-(cyclopropylmethyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-ethylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-methylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-methylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methylethanimidamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N'-methylethanimidamide

C90H88Cl7N35O5 — CID 161352079

About N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-(cyclopropylmethyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-ethylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-methylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-methylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methylethanimidamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N'-methylethanimidamide

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-(cyclopropylmethyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-ethylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-methylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-methylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methylethanimidamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N'-methylethanimidamide (PubChem CID 161352079) has the molecular formula C90H88Cl7N35O5 and a molecular weight of 1988.10 g/mol. Its IUPAC name is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-(cyclopropylmethyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-ethylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-methylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-methylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methylethanimidamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N'-methylethanimidamide.

Molecular Properties

• Compound Name: N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-(cyclopropylmethyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-ethylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-methylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-methylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methylethanimidamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N'-methylethanimidamide
• PubChem CID: 161352079
• Molecular Formula: C90H88Cl7N35O5
• Molecular Weight: 1988.10 g/mol
• Exact Mass: 1983.55
• IUPAC Name: N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-(cyclopropylmethyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-ethylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-methylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-methylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methylethanimidamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N'-methylethanimidamide
• SMILES: C/N=C(\C)Nc1cn(-c2cccnc2)nc1Cl.CC(C#N)C(=O)N(C)c1cn(-c2cccnc2)nc1Cl.CC(C#N)C(=O)N(CC1CC1)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)C(C)C#N)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CC#N)c1cn(-c2cccnc2)nc1Cl.CN(C(=O)CC#N)c1cn(-c2cccnc2)nc1Cl.[H]/N=C(\C)N(C)c1cn(-c2cccnc2)nc1Cl
• InChI: InChI=1S/C16H16ClN5O.C14H14ClN5O.2C13H12ClN5O.C12H10ClN5O.2C11H12ClN5/c1-11(7-18)16(23)21(9-12-4-5-12)14-10-22(20-15(14)17)13-3-2-6-19-8-13;1-3-19(14(21)10(2)7-16)12-9-20(18-13(12)15)11-5-4-6-17-8-11;1-9(6-15)13(20)18(2)11-8-19(17-12(11)14)10-4-3-5-16-7-10;1-2-18(12(20)5-6-15)11-9-19(17-13(11)14)10-4-3-7-16-8-10;1-17(11(19)4-5-14)10-8-18(16-12(10)13)9-3-2-6-15-7-9;1-8(13)16(2)10-7-17(15-11(10)12)9-4-3-5-14-6-9;1-8(13-2)15-10-7-17(16-11(10)12)9-4-3-5-14-6-9/h2-3,6,8,10-12H,4-5,9H2,1H3;4-6,8-10H,3H2,1-2H3;3-5,7-9H,1-2H3;3-4,7-9H,2,5H2,1H3;2-3,6-8H,4H2,1H3;3-7,13H,1-2H3;3-7H,1-2H3,(H,13,15)/b;;;;;13-8+
• InChIKey: VOBBGDBSRRXRSF-PDBAAAIDSA-N
• XLogP: 16.02
• TPSA: 486.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 33
• Rotatable Bonds: 23
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1988.10
LogP ≤ 5	16.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-(cyclopropylmethyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-ethylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-methylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-methylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methylethanimidamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N'-methylethanimidamide?

The IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-(cyclopropylmethyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-ethylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-methylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-methylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methylethanimidamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N'-methylethanimidamide (CID 161352079) is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-(cyclopropylmethyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-ethylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-methylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-methylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methylethanimidamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N'-methylethanimidamide.

What is the SMILES notation for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-(cyclopropylmethyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-ethylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-methylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-methylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methylethanimidamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N'-methylethanimidamide?

The canonical SMILES for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-(cyclopropylmethyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-ethylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-methylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-methylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methylethanimidamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N'-methylethanimidamide is C/N=C(\C)Nc1cn(-c2cccnc2)nc1Cl.CC(C#N)C(=O)N(C)c1cn(-c2cccnc2)nc1Cl.CC(C#N)C(=O)N(CC1CC1)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)C(C)C#N)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CC#N)c1cn(-c2cccnc2)nc1Cl.CN(C(=O)CC#N)c1cn(-c2cccnc2)nc1Cl.[H]/N=C(\C)N(C)c1cn(-c2cccnc2)nc1Cl.

What is the InChIKey of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-(cyclopropylmethyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-ethylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-methylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-methylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methylethanimidamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N'-methylethanimidamide?

The InChIKey is VOBBGDBSRRXRSF-PDBAAAIDSA-N. The full InChI is InChI=1S/C16H16ClN5O.C14H14ClN5O.2C13H12ClN5O.C12H10ClN5O.2C11H12ClN5/c1-11(7-18)16(23)21(9-12-4-5-12)14-10-22(20-15(14)17)13-3-2-6-19-8-13;1-3-19(14(21)10(2)7-16)12-9-20(18-13(12)15)11-5-4-6-17-8-11;1-9(6-15)13(20)18(2)11-8-19(17-12(11)14)10-4-3-5-16-7-10;1-2-18(12(20)5-6-15)11-9-19(17-13(11)14)10-4-3-7-16-8-10;1-17(11(19)4-5-14)10-8-18(16-12(10)13)9-3-2-6-15-7-9;1-8(13)16(2)10-7-17(15-11(10)12)9-4-3-5-14-6-9;1-8(13-2)15-10-7-17(16-11(10)12)9-4-3-5-14-6-9/h2-3,6,8,10-12H,4-5,9H2,1H3;4-6,8-10H,3H2,1-2H3;3-5,7-9H,1-2H3;3-4,7-9H,2,5H2,1H3;2-3,6-8H,4H2,1H3;3-7,13H,1-2H3;3-7H,1-2H3,(H,13,15)/b;;;;;13-8+;.

What are the key properties of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-(cyclopropylmethyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-ethylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-methylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-methylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methylethanimidamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N'-methylethanimidamide?

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-(cyclopropylmethyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-ethylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-methylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-methylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methylethanimidamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N'-methylethanimidamide has a molecular weight of 1988.10 g/mol, XLogP of 16.02, 23 rotatable bonds, 2 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-(cyclopropylmethyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-ethylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-methylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-methylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methylethanimidamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N'-methylethanimidamide is sourced from PubChem (CID 161352079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).