1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrazole-4-carboxamide

C26H27ClN4O2 — CID 55722150

IUPAC1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCc1ccc(-n2ncc(C(=O)NCc3cccc(C(=O)N4CCCC4)c3)c2C2CC2)cc1Cl
InChIInChI=1S/C26H27ClN4O2/c1-17-7-10-21(14-23(17)27)31-24(19-8-9-19)22(16-29-31)25(32)28-15-18-5-4-6-20(13-18)26(33)30-11-2-3-12-30/h4-7,10,13-14,16,19H,2-3,8-9,11-12,15H2,1H3,(H,28,32)
InChIKeySYTIIAFTJLUVFP-UHFFFAOYSA-N
MW462.98 g/mol
LogP4.88
Rot. Bonds6

About 1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrazole-4-carboxamide

1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 55722150) has the molecular formula C26H27ClN4O2 and a molecular weight of 462.98 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrazole-4-carboxamide
PubChem CID55722150
Molecular FormulaC26H27ClN4O2
Molecular Weight462.98 g/mol
Exact Mass462.18
IUPAC Name1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCc1ccc(-n2ncc(C(=O)NCc3cccc(C(=O)N4CCCC4)c3)c2C2CC2)cc1Cl
InChIInChI=1S/C26H27ClN4O2/c1-17-7-10-21(14-23(17)27)31-24(19-8-9-19)22(16-29-31)25(32)28-15-18-5-4-6-20(13-18)26(33)30-11-2-3-12-30/h4-7,10,13-14,16,19H,2-3,8-9,11-12,15H2,1H3,(H,28,32)
InChIKeySYTIIAFTJLUVFP-UHFFFAOYSA-N
XLogP4.88
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.98
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 55802149
1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide
CID 119503054
1-(3-chloro-4-methylphenyl)-N-[(4-fluorophenyl)methyl]-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053238
N-(3-acetylphenyl)-1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carboxamide
CID 55604602
1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 119513306
1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide
CID 55720282
1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide
CID 55722244
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-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide
CID 55725117
(3R)-1-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 124698115
[(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
2-[[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]-methylamino]acetic acid
CID 119172518

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrazole-4-carboxamide (CID 55722150) is 1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrazole-4-carboxamide is Cc1ccc(-n2ncc(C(=O)NCc3cccc(C(=O)N4CCCC4)c3)c2C2CC2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is SYTIIAFTJLUVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN4O2/c1-17-7-10-21(14-23(17)27)31-24(19-8-9-19)22(16-29-31)25(32)28-15-18-5-4-6-20(13-18)26(33)30-11-2-3-12-30/h4-7,10,13-14,16,19H,2-3,8-9,11-12,15H2,1H3,(H,28,32).
What are the key properties of 1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrazole-4-carboxamide?
1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 462.98 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 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-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 55722150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).