5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide

C19H21Cl2N7O — CID 56555534

IUPAC5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)Nc1nc(N2CCCCC2)n[nH]1
InChIInChI=1S/C19H21Cl2N7O/c1-12-15(16(21)28(26-12)11-13-7-3-4-8-14(13)20)17(29)22-18-23-19(25-24-18)27-9-5-2-6-10-27/h3-4,7-8H,2,5-6,9-11H2,1H3,(H2,22,23,24,25,29)
InChIKeyYHWHYUYMKCLLGJ-UHFFFAOYSA-N
MW434.33 g/mol
LogP3.91
Rot. Bonds5

About 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide

5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide (PubChem CID 56555534) has the molecular formula C19H21Cl2N7O and a molecular weight of 434.33 g/mol. Its IUPAC name is 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide
PubChem CID56555534
Molecular FormulaC19H21Cl2N7O
Molecular Weight434.33 g/mol
Exact Mass433.12
IUPAC Name5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)Nc1nc(N2CCCCC2)n[nH]1
InChIInChI=1S/C19H21Cl2N7O/c1-12-15(16(21)28(26-12)11-13-7-3-4-8-14(13)20)17(29)22-18-23-19(25-24-18)27-9-5-2-6-10-27/h3-4,7-8H,2,5-6,9-11H2,1H3,(H2,22,23,24,25,29)
InChIKeyYHWHYUYMKCLLGJ-UHFFFAOYSA-N
XLogP3.91
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.33
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide (CID 56555534) is 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide is Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)Nc1nc(N2CCCCC2)n[nH]1.
What is the InChIKey of 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide?
The InChIKey is YHWHYUYMKCLLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N7O/c1-12-15(16(21)28(26-12)11-13-7-3-4-8-14(13)20)17(29)22-18-23-19(25-24-18)27-9-5-2-6-10-27/h3-4,7-8H,2,5-6,9-11H2,1H3,(H2,22,23,24,25,29).
What are the key properties of 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide?
5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide has a molecular weight of 434.33 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 56555534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).