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

C18H23N7O3 — CID 19496048

IUPAC5-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
SMILESCCn1cc(Cn2nc(C)c(NC(=O)c3c(C(=O)O)cnn3C)c2C)c(C)n1
InChIInChI=1S/C18H23N7O3/c1-6-24-8-13(10(2)21-24)9-25-12(4)15(11(3)22-25)20-17(26)16-14(18(27)28)7-19-23(16)5/h7-8H,6,9H2,1-5H3,(H,20,26)(H,27,28)
InChIKeyUMJPZEUYJDPTBB-UHFFFAOYSA-N
MW385.43 g/mol
LogP1.76
Rot. Bonds6

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

5-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid (PubChem CID 19496048) has the molecular formula C18H23N7O3 and a molecular weight of 385.43 g/mol. Its IUPAC name is 5-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
PubChem CID19496048
Molecular FormulaC18H23N7O3
Molecular Weight385.43 g/mol
Exact Mass385.19
IUPAC Name5-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
SMILESCCn1cc(Cn2nc(C)c(NC(=O)c3c(C(=O)O)cnn3C)c2C)c(C)n1
InChIInChI=1S/C18H23N7O3/c1-6-24-8-13(10(2)21-24)9-25-12(4)15(11(3)22-25)20-17(26)16-14(18(27)28)7-19-23(16)5/h7-8H,6,9H2,1-5H3,(H,20,26)(H,27,28)
InChIKeyUMJPZEUYJDPTBB-UHFFFAOYSA-N
XLogP1.76
TPSA119.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-[[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19494122
5-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19623774
4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496108
5-[[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19494328
4-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19623892
N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,5-dimethylpyrazole-4-carboxamide
CID 19412098
N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-iodo-1-methylpyrazole-5-carboxamide
CID 19476145
5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19494189
1-[3-[[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470895
N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-iodo-1-methylpyrazole-5-carboxamide
CID 19476051
5-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethylcarbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19496057
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1-ethyl-4-nitropyrazole-3-carboxamide
CID 19262963

Frequently Asked Questions

What is the IUPAC name of 5-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 5-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid (CID 19496048) is 5-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid is CCn1cc(Cn2nc(C)c(NC(=O)c3c(C(=O)O)cnn3C)c2C)c(C)n1.
What is the InChIKey of 5-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The InChIKey is UMJPZEUYJDPTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O3/c1-6-24-8-13(10(2)21-24)9-25-12(4)15(11(3)22-25)20-17(26)16-14(18(27)28)7-19-23(16)5/h7-8H,6,9H2,1-5H3,(H,20,26)(H,27,28).
What are the key properties of 5-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid?
5-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid has a molecular weight of 385.43 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 19496048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).