methyl 4-[[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]-methylamino]butanoate

C19H24ClN3O3 — CID 134033364

IUPACmethyl 4-[[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]-methylamino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)c1c(C)nn(Cc2ccc(C)cc2)c1Cl
InChIInChI=1S/C19H24ClN3O3/c1-13-7-9-15(10-8-13)12-23-18(20)17(14(2)21-23)19(25)22(3)11-5-6-16(24)26-4/h7-10H,5-6,11-12H2,1-4H3
InChIKeyHNDSQFDSGHJCCR-UHFFFAOYSA-N
MW377.87 g/mol
LogP3.23
Rot. Bonds7

About methyl 4-[[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]-methylamino]butanoate

methyl 4-[[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]-methylamino]butanoate (PubChem CID 134033364) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is methyl 4-[[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]-methylamino]butanoate.

Molecular Properties

Compound Namemethyl 4-[[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]-methylamino]butanoate
PubChem CID134033364
Molecular FormulaC19H24ClN3O3
Molecular Weight377.87 g/mol
Exact Mass377.15
IUPAC Namemethyl 4-[[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]-methylamino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)c1c(C)nn(Cc2ccc(C)cc2)c1Cl
InChIInChI=1S/C19H24ClN3O3/c1-13-7-9-15(10-8-13)12-23-18(20)17(14(2)21-23)19(25)22(3)11-5-6-16(24)26-4/h7-10H,5-6,11-12H2,1-4H3
InChIKeyHNDSQFDSGHJCCR-UHFFFAOYSA-N
XLogP3.23
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]-methylamino]butanoate with MolForge

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Related Compounds

N-[(1-benzylpyrazol-4-yl)methyl]-5-chloro-N,3-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 31798730
5-chloro-N-[(4-chlorophenyl)methyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 26911967
methyl 3-[[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]thiophene-2-carboxylate
CID 55413297
1-benzyl-N-[2-(benzylamino)-2-oxoethyl]-5-chloro-N,3-dimethylpyrazole-4-carboxamide
CID 154861363
methyl 4-[2-[[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]ethyl]benzoate
CID 46514721
[(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate
CID 8987951
5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-[2-(2-methylpropanoylamino)ethyl]pyrazole-4-carboxamide
CID 31365143
5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-(3-phenylpropyl)pyrazole-4-carboxamide
CID 27647040
5-chloro-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 9116652
5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
CID 26445004
5-chloro-N-(3-hydroxybutyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 111429075
5-chloro-N-(1,1-dioxothiolan-3-yl)-N,3-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 18268559

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]-methylamino]butanoate?
The IUPAC name of methyl 4-[[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]-methylamino]butanoate (CID 134033364) is methyl 4-[[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]-methylamino]butanoate.
What is the SMILES notation for methyl 4-[[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]-methylamino]butanoate?
The canonical SMILES for methyl 4-[[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]-methylamino]butanoate is COC(=O)CCCN(C)C(=O)c1c(C)nn(Cc2ccc(C)cc2)c1Cl.
What is the InChIKey of methyl 4-[[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]-methylamino]butanoate?
The InChIKey is HNDSQFDSGHJCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3/c1-13-7-9-15(10-8-13)12-23-18(20)17(14(2)21-23)19(25)22(3)11-5-6-16(24)26-4/h7-10H,5-6,11-12H2,1-4H3.
What are the key properties of methyl 4-[[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]-methylamino]butanoate?
methyl 4-[[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]-methylamino]butanoate has a molecular weight of 377.87 g/mol, XLogP of 3.23, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]-methylamino]butanoate is sourced from PubChem (CID 134033364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).