4-(3-chlorophenyl)-1-methyl-N-(piperidin-4-ylmethyl)pyrazole-3-carboxamide

C17H21ClN4O — CID 46890779

IUPAC4-(3-chlorophenyl)-1-methyl-N-(piperidin-4-ylmethyl)pyrazole-3-carboxamide
SMILESCn1cc(-c2cccc(Cl)c2)c(C(=O)NCC2CCNCC2)n1
InChIInChI=1S/C17H21ClN4O/c1-22-11-15(13-3-2-4-14(18)9-13)16(21-22)17(23)20-10-12-5-7-19-8-6-12/h2-4,9,11-12,19H,5-8,10H2,1H3,(H,20,23)
InChIKeyMFZWEBMQYPNXGC-UHFFFAOYSA-N
MW332.83 g/mol
LogP2.47
Rot. Bonds4

About 4-(3-chlorophenyl)-1-methyl-N-(piperidin-4-ylmethyl)pyrazole-3-carboxamide

4-(3-chlorophenyl)-1-methyl-N-(piperidin-4-ylmethyl)pyrazole-3-carboxamide (PubChem CID 46890779) has the molecular formula C17H21ClN4O and a molecular weight of 332.83 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-1-methyl-N-(piperidin-4-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-1-methyl-N-(piperidin-4-ylmethyl)pyrazole-3-carboxamide
PubChem CID46890779
Molecular FormulaC17H21ClN4O
Molecular Weight332.83 g/mol
Exact Mass332.14
IUPAC Name4-(3-chlorophenyl)-1-methyl-N-(piperidin-4-ylmethyl)pyrazole-3-carboxamide
SMILESCn1cc(-c2cccc(Cl)c2)c(C(=O)NCC2CCNCC2)n1
InChIInChI=1S/C17H21ClN4O/c1-22-11-15(13-3-2-4-14(18)9-13)16(21-22)17(23)20-10-12-5-7-19-8-6-12/h2-4,9,11-12,19H,5-8,10H2,1H3,(H,20,23)
InChIKeyMFZWEBMQYPNXGC-UHFFFAOYSA-N
XLogP2.47
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-1-methyl-N-(piperidin-4-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)-1-methyl-N-(piperidin-4-ylmethyl)pyrazole-3-carboxamide (CID 46890779) is 4-(3-chlorophenyl)-1-methyl-N-(piperidin-4-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)-1-methyl-N-(piperidin-4-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)-1-methyl-N-(piperidin-4-ylmethyl)pyrazole-3-carboxamide is Cn1cc(-c2cccc(Cl)c2)c(C(=O)NCC2CCNCC2)n1.
What is the InChIKey of 4-(3-chlorophenyl)-1-methyl-N-(piperidin-4-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is MFZWEBMQYPNXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-22-11-15(13-3-2-4-14(18)9-13)16(21-22)17(23)20-10-12-5-7-19-8-6-12/h2-4,9,11-12,19H,5-8,10H2,1H3,(H,20,23).
What are the key properties of 4-(3-chlorophenyl)-1-methyl-N-(piperidin-4-ylmethyl)pyrazole-3-carboxamide?
4-(3-chlorophenyl)-1-methyl-N-(piperidin-4-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 332.83 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-1-methyl-N-(piperidin-4-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 46890779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).