3-[(1-propylpyrazol-3-yl)carbamoyl]pyrazine-2-carboxylic acid

C12H13N5O3 — CID 39341702

IUPAC3-[(1-propylpyrazol-3-yl)carbamoyl]pyrazine-2-carboxylic acid
SMILESCCCn1ccc(NC(=O)c2nccnc2C(=O)O)n1
InChIInChI=1S/C12H13N5O3/c1-2-6-17-7-3-8(16-17)15-11(18)9-10(12(19)20)14-5-4-13-9/h3-5,7H,2,6H2,1H3,(H,19,20)(H,15,16,18)
InChIKeyDYFWHFCLMNLLKN-UHFFFAOYSA-N
MW275.27 g/mol
LogP1.03
Rot. Bonds5

About 3-[(1-propylpyrazol-3-yl)carbamoyl]pyrazine-2-carboxylic acid

3-[(1-propylpyrazol-3-yl)carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 39341702) has the molecular formula C12H13N5O3 and a molecular weight of 275.27 g/mol. Its IUPAC name is 3-[(1-propylpyrazol-3-yl)carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(1-propylpyrazol-3-yl)carbamoyl]pyrazine-2-carboxylic acid
PubChem CID39341702
Molecular FormulaC12H13N5O3
Molecular Weight275.27 g/mol
Exact Mass275.10
IUPAC Name3-[(1-propylpyrazol-3-yl)carbamoyl]pyrazine-2-carboxylic acid
SMILESCCCn1ccc(NC(=O)c2nccnc2C(=O)O)n1
InChIInChI=1S/C12H13N5O3/c1-2-6-17-7-3-8(16-17)15-11(18)9-10(12(19)20)14-5-4-13-9/h3-5,7H,2,6H2,1H3,(H,19,20)(H,15,16,18)
InChIKeyDYFWHFCLMNLLKN-UHFFFAOYSA-N
XLogP1.03
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-(1-propylpyrazol-3-yl)thiophene-2-carboxamide
CID 53017148
4-cyano-N-(1-propylpyrazol-3-yl)benzamide
CID 53017153
3-N,4-N-bis(1-ethylpyrazol-3-yl)-1-methylpyrazole-3,4-dicarboxamide
CID 29097735
N-(1-ethylpyrazol-3-yl)pyridine-2-carboxamide
CID 35286531
N-[1-(2-hydroxyethyl)pyrazol-3-yl]acetamide
CID 141183209
4-[[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19498683
N-[1-(2-methoxyethyl)pyrazol-3-yl]acetamide
CID 118519251
3-[(1-propylpyrrole-2-carbonyl)amino]pyrazine-2-carboxylic acid
CID 63262330
1-(2,5-dimethylphenyl)-3-(1-propylpyrazol-3-yl)urea
CID 53017294
2-[3-(butanoylamino)pyrazol-1-yl]acetic acid
CID 119230770
3-(3-methyl-1-propylpyrazol-4-yl)pyridine-2-carboxylic acid
CID 107525286
N-(1-ethylpyrazol-3-yl)-2,3-dihydroxybenzamide
CID 114251339

Frequently Asked Questions

What is the IUPAC name of 3-[(1-propylpyrazol-3-yl)carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(1-propylpyrazol-3-yl)carbamoyl]pyrazine-2-carboxylic acid (CID 39341702) is 3-[(1-propylpyrazol-3-yl)carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(1-propylpyrazol-3-yl)carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(1-propylpyrazol-3-yl)carbamoyl]pyrazine-2-carboxylic acid is CCCn1ccc(NC(=O)c2nccnc2C(=O)O)n1.
What is the InChIKey of 3-[(1-propylpyrazol-3-yl)carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is DYFWHFCLMNLLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3/c1-2-6-17-7-3-8(16-17)15-11(18)9-10(12(19)20)14-5-4-13-9/h3-5,7H,2,6H2,1H3,(H,19,20)(H,15,16,18).
What are the key properties of 3-[(1-propylpyrazol-3-yl)carbamoyl]pyrazine-2-carboxylic acid?
3-[(1-propylpyrazol-3-yl)carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 275.27 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-propylpyrazol-3-yl)carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 39341702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).