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

C17H23ClN4O — CID 119510623

IUPAC5-methyl-1-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
SMILESCc1ccccc1-n1ncc(C(=O)NCC2CCCN2)c1C.Cl
InChIInChI=1S/C17H22N4O.ClH/c1-12-6-3-4-8-16(12)21-13(2)15(11-20-21)17(22)19-10-14-7-5-9-18-14;/h3-4,6,8,11,14,18H,5,7,9-10H2,1-2H3,(H,19,22);1H
InChIKeyDXTKUJBTLYZNGJ-UHFFFAOYSA-N
MW334.85 g/mol
LogP2.39
Rot. Bonds4

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

5-methyl-1-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride (PubChem CID 119510623) has the molecular formula C17H23ClN4O and a molecular weight of 334.85 g/mol. Its IUPAC name is 5-methyl-1-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-methyl-1-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
PubChem CID119510623
Molecular FormulaC17H23ClN4O
Molecular Weight334.85 g/mol
Exact Mass334.16
IUPAC Name5-methyl-1-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
SMILESCc1ccccc1-n1ncc(C(=O)NCC2CCCN2)c1C.Cl
InChIInChI=1S/C17H22N4O.ClH/c1-12-6-3-4-8-16(12)21-13(2)15(11-20-21)17(22)19-10-14-7-5-9-18-14;/h3-4,6,8,11,14,18H,5,7,9-10H2,1-2H3,(H,19,22);1H
InChIKeyDXTKUJBTLYZNGJ-UHFFFAOYSA-N
XLogP2.39
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(3-chlorophenyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
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1-(3-chlorophenyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 119512036
N-(2-aminoethyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide;hydrochloride
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CID 119505425
5-ethyl-1-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119511358
1-[[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544055
1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
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5-methyl-1-(2-methylphenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-4-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 5-methyl-1-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride (CID 119510623) is 5-methyl-1-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 5-methyl-1-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 5-methyl-1-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride is Cc1ccccc1-n1ncc(C(=O)NCC2CCCN2)c1C.Cl.
What is the InChIKey of 5-methyl-1-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride?
The InChIKey is DXTKUJBTLYZNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O.ClH/c1-12-6-3-4-8-16(12)21-13(2)15(11-20-21)17(22)19-10-14-7-5-9-18-14;/h3-4,6,8,11,14,18H,5,7,9-10H2,1-2H3,(H,19,22);1H.
What are the key properties of 5-methyl-1-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride?
5-methyl-1-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119510623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).