5-chloro-1,3-dimethyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]pyrazole-4-carboxamide

C16H19ClN4O2 — CID 1482920

IUPAC5-chloro-1,3-dimethyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]pyrazole-4-carboxamide
SMILESCc1ccc(CNC(=O)CNC(=O)c2c(C)nn(C)c2Cl)cc1
InChIInChI=1S/C16H19ClN4O2/c1-10-4-6-12(7-5-10)8-18-13(22)9-19-16(23)14-11(2)20-21(3)15(14)17/h4-7H,8-9H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyBRMCRQZODCKXKU-UHFFFAOYSA-N
MW334.81 g/mol
LogP1.74
Rot. Bonds5

About 5-chloro-1,3-dimethyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]pyrazole-4-carboxamide

5-chloro-1,3-dimethyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]pyrazole-4-carboxamide (PubChem CID 1482920) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is 5-chloro-1,3-dimethyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-1,3-dimethyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]pyrazole-4-carboxamide
PubChem CID1482920
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name5-chloro-1,3-dimethyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]pyrazole-4-carboxamide
SMILESCc1ccc(CNC(=O)CNC(=O)c2c(C)nn(C)c2Cl)cc1
InChIInChI=1S/C16H19ClN4O2/c1-10-4-6-12(7-5-10)8-18-13(22)9-19-16(23)14-11(2)20-21(3)15(14)17/h4-7H,8-9H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyBRMCRQZODCKXKU-UHFFFAOYSA-N
XLogP1.74
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,3-dimethyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]pyrazole-4-carboxamide?
The IUPAC name of 5-chloro-1,3-dimethyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]pyrazole-4-carboxamide (CID 1482920) is 5-chloro-1,3-dimethyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-1,3-dimethyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-1,3-dimethyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]pyrazole-4-carboxamide is Cc1ccc(CNC(=O)CNC(=O)c2c(C)nn(C)c2Cl)cc1.
What is the InChIKey of 5-chloro-1,3-dimethyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]pyrazole-4-carboxamide?
The InChIKey is BRMCRQZODCKXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-10-4-6-12(7-5-10)8-18-13(22)9-19-16(23)14-11(2)20-21(3)15(14)17/h4-7H,8-9H2,1-3H3,(H,18,22)(H,19,23).
What are the key properties of 5-chloro-1,3-dimethyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]pyrazole-4-carboxamide?
5-chloro-1,3-dimethyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]pyrazole-4-carboxamide has a molecular weight of 334.81 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,3-dimethyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 1482920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).