3-[4-chloro-3-(2-methoxyethoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(3,4-dichlorophenoxy)-3-methoxyphenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide

C70H73Cl4N13O11 — CID 157345802

About 3-[4-chloro-3-(2-methoxyethoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(3,4-dichlorophenoxy)-3-methoxyphenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide

3-[4-chloro-3-(2-methoxyethoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(3,4-dichlorophenoxy)-3-methoxyphenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide (PubChem CID 157345802) has the molecular formula C70H73Cl4N13O11 and a molecular weight of 1414.25 g/mol. Its IUPAC name is 3-[4-chloro-3-(2-methoxyethoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(3,4-dichlorophenoxy)-3-methoxyphenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-[4-chloro-3-(2-methoxyethoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(3,4-dichlorophenoxy)-3-methoxyphenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide
• PubChem CID: 157345802
• Molecular Formula: C70H73Cl4N13O11
• Molecular Weight: 1414.25 g/mol
• Exact Mass: 1411.43
• IUPAC Name: 3-[4-chloro-3-(2-methoxyethoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(3,4-dichlorophenoxy)-3-methoxyphenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide
• SMILES: C=CC(=O)N1CCC[C@@H](n2cc(C(N)=O)c(-c3ccc(Cl)c(OCCOC)c3)n2)C1.C=CC(=O)N1CCC[C@@H](n2cc(C(N)=O)c(-c3ccc(OCc4ccccn4)c(Cl)c3)n2)C1.C=CC(=O)N1CCC[C@@H](n2cc(C(N)=O)c(-c3ccc(Oc4ccc(Cl)c(Cl)c4)c(OC)c3)n2)C1
• InChI: InChI=1S/C25H24Cl2N4O4.C24H24ClN5O3.C21H25ClN4O4/c1-3-23(32)30-10-4-5-16(13-30)31-14-18(25(28)33)24(29-31)15-6-9-21(22(11-15)34-2)35-17-7-8-19(26)20(27)12-17;1-2-22(31)29-11-5-7-18(13-29)30-14-19(24(26)32)23(28-30)16-8-9-21(20(25)12-16)33-15-17-6-3-4-10-27-17;1-3-19(27)25-8-4-5-15(12-25)26-13-16(21(23)28)20(24-26)14-6-7-17(22)18(11-14)30-10-9-29-2/h3,6-9,11-12,14,16H,1,4-5,10,13H2,2H3,(H2,28,33);2-4,6,8-10,12,14,18H,1,5,7,11,13,15H2,(H2,26,32);3,6-7,11,13,15H,1,4-5,8-10,12H2,2H3,(H2,23,28)/t16-;18-;15-/m111/s1
• InChIKey: BGYKCBSALIBJLM-BWVMEMJVSA-N
• XLogP: 11.41
• TPSA: 302.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 22
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1414.25
LogP ≤ 5	11.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-3-(2-methoxyethoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(3,4-dichlorophenoxy)-3-methoxyphenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide?

The IUPAC name of 3-[4-chloro-3-(2-methoxyethoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(3,4-dichlorophenoxy)-3-methoxyphenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide (CID 157345802) is 3-[4-chloro-3-(2-methoxyethoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(3,4-dichlorophenoxy)-3-methoxyphenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide.

What is the SMILES notation for 3-[4-chloro-3-(2-methoxyethoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(3,4-dichlorophenoxy)-3-methoxyphenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide?

The canonical SMILES for 3-[4-chloro-3-(2-methoxyethoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(3,4-dichlorophenoxy)-3-methoxyphenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide is C=CC(=O)N1CCC[C@@H](n2cc(C(N)=O)c(-c3ccc(Cl)c(OCCOC)c3)n2)C1.C=CC(=O)N1CCC[C@@H](n2cc(C(N)=O)c(-c3ccc(OCc4ccccn4)c(Cl)c3)n2)C1.C=CC(=O)N1CCC[C@@H](n2cc(C(N)=O)c(-c3ccc(Oc4ccc(Cl)c(Cl)c4)c(OC)c3)n2)C1.

What is the InChIKey of 3-[4-chloro-3-(2-methoxyethoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(3,4-dichlorophenoxy)-3-methoxyphenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide?

The InChIKey is BGYKCBSALIBJLM-BWVMEMJVSA-N. The full InChI is InChI=1S/C25H24Cl2N4O4.C24H24ClN5O3.C21H25ClN4O4/c1-3-23(32)30-10-4-5-16(13-30)31-14-18(25(28)33)24(29-31)15-6-9-21(22(11-15)34-2)35-17-7-8-19(26)20(27)12-17;1-2-22(31)29-11-5-7-18(13-29)30-14-19(24(26)32)23(28-30)16-8-9-21(20(25)12-16)33-15-17-6-3-4-10-27-17;1-3-19(27)25-8-4-5-15(12-25)26-13-16(21(23)28)20(24-26)14-6-7-17(22)18(11-14)30-10-9-29-2/h3,6-9,11-12,14,16H,1,4-5,10,13H2,2H3,(H2,28,33);2-4,6,8-10,12,14,18H,1,5,7,11,13,15H2,(H2,26,32);3,6-7,11,13,15H,1,4-5,8-10,12H2,2H3,(H2,23,28)/t16-;18-;15-/m111/s1.

What are the key properties of 3-[4-chloro-3-(2-methoxyethoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(3,4-dichlorophenoxy)-3-methoxyphenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide?

3-[4-chloro-3-(2-methoxyethoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(3,4-dichlorophenoxy)-3-methoxyphenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide has a molecular weight of 1414.25 g/mol, XLogP of 11.41, 22 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-chloro-3-(2-methoxyethoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(3,4-dichlorophenoxy)-3-methoxyphenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 157345802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).