5-(4-chlorophenyl)-4-methyl-N-piperidin-1-yl-1-pyridin-2-ylpyrazole-3-carboxamide

C21H22ClN5O — CID 129010778

IUPAC5-(4-chlorophenyl)-4-methyl-N-piperidin-1-yl-1-pyridin-2-ylpyrazole-3-carboxamide
SMILESCc1c(C(=O)NN2CCCCC2)nn(-c2ccccn2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C21H22ClN5O/c1-15-19(21(28)25-26-13-5-2-6-14-26)24-27(18-7-3-4-12-23-18)20(15)16-8-10-17(22)11-9-16/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,25,28)
InChIKeyKRVDZSMMLJVZKV-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.03
Rot. Bonds4

About 5-(4-chlorophenyl)-4-methyl-N-piperidin-1-yl-1-pyridin-2-ylpyrazole-3-carboxamide

5-(4-chlorophenyl)-4-methyl-N-piperidin-1-yl-1-pyridin-2-ylpyrazole-3-carboxamide (PubChem CID 129010778) has the molecular formula C21H22ClN5O and a molecular weight of 395.89 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-methyl-N-piperidin-1-yl-1-pyridin-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-methyl-N-piperidin-1-yl-1-pyridin-2-ylpyrazole-3-carboxamide
PubChem CID129010778
Molecular FormulaC21H22ClN5O
Molecular Weight395.89 g/mol
Exact Mass395.15
IUPAC Name5-(4-chlorophenyl)-4-methyl-N-piperidin-1-yl-1-pyridin-2-ylpyrazole-3-carboxamide
SMILESCc1c(C(=O)NN2CCCCC2)nn(-c2ccccn2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C21H22ClN5O/c1-15-19(21(28)25-26-13-5-2-6-14-26)24-27(18-7-3-4-12-23-18)20(15)16-8-10-17(22)11-9-16/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,25,28)
InChIKeyKRVDZSMMLJVZKV-UHFFFAOYSA-N
XLogP4.03
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-methyl-N-piperidin-1-yl-1-pyridin-2-ylpyrazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-4-methyl-N-piperidin-1-yl-1-pyridin-2-ylpyrazole-3-carboxamide (CID 129010778) is 5-(4-chlorophenyl)-4-methyl-N-piperidin-1-yl-1-pyridin-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-4-methyl-N-piperidin-1-yl-1-pyridin-2-ylpyrazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-4-methyl-N-piperidin-1-yl-1-pyridin-2-ylpyrazole-3-carboxamide is Cc1c(C(=O)NN2CCCCC2)nn(-c2ccccn2)c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-4-methyl-N-piperidin-1-yl-1-pyridin-2-ylpyrazole-3-carboxamide?
The InChIKey is KRVDZSMMLJVZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O/c1-15-19(21(28)25-26-13-5-2-6-14-26)24-27(18-7-3-4-12-23-18)20(15)16-8-10-17(22)11-9-16/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,25,28).
What are the key properties of 5-(4-chlorophenyl)-4-methyl-N-piperidin-1-yl-1-pyridin-2-ylpyrazole-3-carboxamide?
5-(4-chlorophenyl)-4-methyl-N-piperidin-1-yl-1-pyridin-2-ylpyrazole-3-carboxamide has a molecular weight of 395.89 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-methyl-N-piperidin-1-yl-1-pyridin-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 129010778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).