4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-3-carboxylic acid

C18H19N5O3 — CID 19498502

IUPAC4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-3-carboxylic acid
SMILESCc1nn(Cc2ccccc2)c(C)c1NC(=O)c1cn(C)nc1C(=O)O
InChIInChI=1S/C18H19N5O3/c1-11-15(12(2)23(20-11)9-13-7-5-4-6-8-13)19-17(24)14-10-22(3)21-16(14)18(25)26/h4-8,10H,9H2,1-3H3,(H,19,24)(H,25,26)
InChIKeyFSQAUZLTDOWTNX-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.23
Rot. Bonds5

About 4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-3-carboxylic acid

4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-3-carboxylic acid (PubChem CID 19498502) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-3-carboxylic acid
PubChem CID19498502
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-3-carboxylic acid
SMILESCc1nn(Cc2ccccc2)c(C)c1NC(=O)c1cn(C)nc1C(=O)O
InChIInChI=1S/C18H19N5O3/c1-11-15(12(2)23(20-11)9-13-7-5-4-6-8-13)19-17(24)14-10-22(3)21-16(14)18(25)26/h4-8,10H,9H2,1-3H3,(H,19,24)(H,25,26)
InChIKeyFSQAUZLTDOWTNX-UHFFFAOYSA-N
XLogP2.23
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19500372
4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496108
4-[(2,6-dichlorophenyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19498506
4-[[1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19500422
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(4-methylbenzoyl)benzamide
CID 19335881
N-[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-iodo-1-methylpyrazole-3-carboxamide
CID 19262072
4-[[1-[(4-chloro-3-methylphenoxy)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19500428
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-2-fluorobenzamide
CID 17088839
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(4-chlorobenzoyl)benzamide
CID 19335882
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)pyridine-3-carboxamide
CID 35524107
N-[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,3-diphenylpyrazole-4-carboxamide
CID 19281407
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,5-dimethoxybenzamide
CID 19335776

Frequently Asked Questions

What is the IUPAC name of 4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-3-carboxylic acid?
The IUPAC name of 4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-3-carboxylic acid (CID 19498502) is 4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-3-carboxylic acid is Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1cn(C)nc1C(=O)O.
What is the InChIKey of 4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-3-carboxylic acid?
The InChIKey is FSQAUZLTDOWTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-11-15(12(2)23(20-11)9-13-7-5-4-6-8-13)19-17(24)14-10-22(3)21-16(14)18(25)26/h4-8,10H,9H2,1-3H3,(H,19,24)(H,25,26).
What are the key properties of 4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-3-carboxylic acid?
4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-3-carboxylic acid has a molecular weight of 353.38 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 19498502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).