1-methyl-4-[(5-methyl-2-propylpyrazol-3-yl)carbamoyl]pyrazole-5-carboxylic acid

C13H17N5O3 — CID 19496453

IUPAC1-methyl-4-[(5-methyl-2-propylpyrazol-3-yl)carbamoyl]pyrazole-5-carboxylic acid
SMILESCCCn1nc(C)cc1NC(=O)c1cnn(C)c1C(=O)O
InChIInChI=1S/C13H17N5O3/c1-4-5-18-10(6-8(2)16-18)15-12(19)9-7-14-17(3)11(9)13(20)21/h6-7H,4-5H2,1-3H3,(H,15,19)(H,20,21)
InChIKeyZHCPHMXZEPAWAA-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.29
Rot. Bonds5

About 1-methyl-4-[(5-methyl-2-propylpyrazol-3-yl)carbamoyl]pyrazole-5-carboxylic acid

1-methyl-4-[(5-methyl-2-propylpyrazol-3-yl)carbamoyl]pyrazole-5-carboxylic acid (PubChem CID 19496453) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 1-methyl-4-[(5-methyl-2-propylpyrazol-3-yl)carbamoyl]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-[(5-methyl-2-propylpyrazol-3-yl)carbamoyl]pyrazole-5-carboxylic acid
PubChem CID19496453
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name1-methyl-4-[(5-methyl-2-propylpyrazol-3-yl)carbamoyl]pyrazole-5-carboxylic acid
SMILESCCCn1nc(C)cc1NC(=O)c1cnn(C)c1C(=O)O
InChIInChI=1S/C13H17N5O3/c1-4-5-18-10(6-8(2)16-18)15-12(19)9-7-14-17(3)11(9)13(20)21/h6-7H,4-5H2,1-3H3,(H,15,19)(H,20,21)
InChIKeyZHCPHMXZEPAWAA-UHFFFAOYSA-N
XLogP1.29
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-methyl-2-propylpyrazol-3-yl)-2-propylpyrazole-3-carboxamide
CID 35531688
N-(5-methyl-2-propylpyrazol-3-yl)-2-propoxybenzamide
CID 21250740
5-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19496063
4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496108
4-[(5-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496258
1-methylpyrazole-4,5-dicarboxylic acid
CID 19623309
4-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496208
5-(ethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
CID 19623680
2-bromo-4-methyl-N-(5-methyl-2-propylpyrazol-3-yl)furo[3,2-b]pyrrole-5-carboxamide
CID 91958679
4-[(2,4-dichlorophenyl)carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496071
4-[[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496378
4-[(3-methoxyphenyl)carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19623911

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(5-methyl-2-propylpyrazol-3-yl)carbamoyl]pyrazole-5-carboxylic acid?
The IUPAC name of 1-methyl-4-[(5-methyl-2-propylpyrazol-3-yl)carbamoyl]pyrazole-5-carboxylic acid (CID 19496453) is 1-methyl-4-[(5-methyl-2-propylpyrazol-3-yl)carbamoyl]pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-methyl-4-[(5-methyl-2-propylpyrazol-3-yl)carbamoyl]pyrazole-5-carboxylic acid?
The canonical SMILES for 1-methyl-4-[(5-methyl-2-propylpyrazol-3-yl)carbamoyl]pyrazole-5-carboxylic acid is CCCn1nc(C)cc1NC(=O)c1cnn(C)c1C(=O)O.
What is the InChIKey of 1-methyl-4-[(5-methyl-2-propylpyrazol-3-yl)carbamoyl]pyrazole-5-carboxylic acid?
The InChIKey is ZHCPHMXZEPAWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-4-5-18-10(6-8(2)16-18)15-12(19)9-7-14-17(3)11(9)13(20)21/h6-7H,4-5H2,1-3H3,(H,15,19)(H,20,21).
What are the key properties of 1-methyl-4-[(5-methyl-2-propylpyrazol-3-yl)carbamoyl]pyrazole-5-carboxylic acid?
1-methyl-4-[(5-methyl-2-propylpyrazol-3-yl)carbamoyl]pyrazole-5-carboxylic acid has a molecular weight of 291.31 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(5-methyl-2-propylpyrazol-3-yl)carbamoyl]pyrazole-5-carboxylic acid is sourced from PubChem (CID 19496453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).