4-chloro-1-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-5-carboxamide

C17H21ClN4O — CID 843823

IUPAC4-chloro-1-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)Nc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C17H21ClN4O/c1-21-16(15(18)11-19-21)17(23)20-14-7-5-13(6-8-14)12-22-9-3-2-4-10-22/h5-8,11H,2-4,9-10,12H2,1H3,(H,20,23)
InChIKeyIJMXRHPMLUDFRT-UHFFFAOYSA-N
MW332.84 g/mol
LogP3.31
Rot. Bonds4

About 4-chloro-1-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-5-carboxamide

4-chloro-1-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-5-carboxamide (PubChem CID 843823) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-5-carboxamide
PubChem CID843823
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC Name4-chloro-1-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)Nc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C17H21ClN4O/c1-21-16(15(18)11-19-21)17(23)20-14-7-5-13(6-8-14)12-22-9-3-2-4-10-22/h5-8,11H,2-4,9-10,12H2,1H3,(H,20,23)
InChIKeyIJMXRHPMLUDFRT-UHFFFAOYSA-N
XLogP3.31
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-5-carboxamide (CID 843823) is 4-chloro-1-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-5-carboxamide is Cn1ncc(Cl)c1C(=O)Nc1ccc(CN2CCCCC2)cc1.
What is the InChIKey of 4-chloro-1-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-5-carboxamide?
The InChIKey is IJMXRHPMLUDFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-21-16(15(18)11-19-21)17(23)20-14-7-5-13(6-8-14)12-22-9-3-2-4-10-22/h5-8,11H,2-4,9-10,12H2,1H3,(H,20,23).
What are the key properties of 4-chloro-1-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-5-carboxamide?
4-chloro-1-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-5-carboxamide has a molecular weight of 332.84 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-5-carboxamide is sourced from PubChem (CID 843823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).