1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide

C17H21ClN4O — CID 119503054

IUPAC1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide
SMILESCNCCNC(=O)c1cnn(-c2ccc(C)c(Cl)c2)c1C1CC1
InChIInChI=1S/C17H21ClN4O/c1-11-3-6-13(9-15(11)18)22-16(12-4-5-12)14(10-21-22)17(23)20-8-7-19-2/h3,6,9-10,12,19H,4-5,7-8H2,1-2H3,(H,20,23)
InChIKeyZICQSGPSIFWSEU-UHFFFAOYSA-N
MW332.84 g/mol
LogP2.66
Rot. Bonds6

About 1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide

1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide (PubChem CID 119503054) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide
PubChem CID119503054
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC Name1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide
SMILESCNCCNC(=O)c1cnn(-c2ccc(C)c(Cl)c2)c1C1CC1
InChIInChI=1S/C17H21ClN4O/c1-11-3-6-13(9-15(11)18)22-16(12-4-5-12)14(10-21-22)17(23)20-8-7-19-2/h3,6,9-10,12,19H,4-5,7-8H2,1-2H3,(H,20,23)
InChIKeyZICQSGPSIFWSEU-UHFFFAOYSA-N
XLogP2.66
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-ethylbutyl)-1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carboxamide;hydrochloride
CID 119642684
1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 119513306
2-[[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]-methylamino]acetic acid
CID 119172518
[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]-piperazin-1-ylmethanone
CID 119402776
1-(3-chloro-4-methylphenyl)-N-[(4-fluorophenyl)methyl]-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053238
1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrazole-4-carboxamide
CID 55722150
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]methanone
CID 120656709
N-(3-acetylphenyl)-1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carboxamide
CID 55604602
1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 55867113
1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide
CID 55722244
1-[4-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 55802149
5-cyclopropyl-1-(3,4-dichlorophenyl)pyrazole-4-carboxylic acid
CID 28606372

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide (CID 119503054) is 1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide is CNCCNC(=O)c1cnn(-c2ccc(C)c(Cl)c2)c1C1CC1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide?
The InChIKey is ZICQSGPSIFWSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-11-3-6-13(9-15(11)18)22-16(12-4-5-12)14(10-21-22)17(23)20-8-7-19-2/h3,6,9-10,12,19H,4-5,7-8H2,1-2H3,(H,20,23).
What are the key properties of 1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide?
1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide has a molecular weight of 332.84 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 119503054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).