1-(3-chlorophenyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride

C16H20Cl2N4O — CID 119512035

IUPAC1-(3-chlorophenyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NCC2CCCN2)cnn1-c1cccc(Cl)c1.Cl
InChIInChI=1S/C16H19ClN4O.ClH/c1-11-15(16(22)19-9-13-5-3-7-18-13)10-20-21(11)14-6-2-4-12(17)8-14;/h2,4,6,8,10,13,18H,3,5,7,9H2,1H3,(H,19,22);1H
InChIKeyPHBQSWMCESUSHM-UHFFFAOYSA-N
MW355.27 g/mol
LogP2.74
Rot. Bonds4

About 1-(3-chlorophenyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride

1-(3-chlorophenyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride (PubChem CID 119512035) has the molecular formula C16H20Cl2N4O and a molecular weight of 355.27 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
PubChem CID119512035
Molecular FormulaC16H20Cl2N4O
Molecular Weight355.27 g/mol
Exact Mass354.10
IUPAC Name1-(3-chlorophenyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NCC2CCCN2)cnn1-c1cccc(Cl)c1.Cl
InChIInChI=1S/C16H19ClN4O.ClH/c1-11-15(16(22)19-9-13-5-3-7-18-13)10-20-21(11)14-6-2-4-12(17)8-14;/h2,4,6,8,10,13,18H,3,5,7,9H2,1H3,(H,19,22);1H
InChIKeyPHBQSWMCESUSHM-UHFFFAOYSA-N
XLogP2.74
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.27
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 119512036
1-(3-chlorophenyl)-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 119511365
5-methyl-1-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119510623
1-(3-chlorophenyl)-5-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119451648
1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 119513306
1-(3-chlorophenyl)-N-(2-hydroxypropyl)-5-methylpyrazole-4-carboxamide
CID 78855753
5-ethyl-1-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119511358
N-[2-(aminomethyl)cyclopentyl]-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 119602696
N-(3-amino-2-methylpropyl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 119997822
N-[1-(aminomethyl)cyclopentyl]-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide;hydrochloride
CID 119566491
1-(4-chlorophenyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119512235
5-chloro-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513727

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 1-(3-chlorophenyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride (CID 119512035) is 1-(3-chlorophenyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(3-chlorophenyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(3-chlorophenyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride is Cc1c(C(=O)NCC2CCCN2)cnn1-c1cccc(Cl)c1.Cl.
What is the InChIKey of 1-(3-chlorophenyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride?
The InChIKey is PHBQSWMCESUSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O.ClH/c1-11-15(16(22)19-9-13-5-3-7-18-13)10-20-21(11)14-6-2-4-12(17)8-14;/h2,4,6,8,10,13,18H,3,5,7,9H2,1H3,(H,19,22);1H.
What are the key properties of 1-(3-chlorophenyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride?
1-(3-chlorophenyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride has a molecular weight of 355.27 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119512035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).