1-[2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid

C13H17N5O3 — CID 19624217

IUPAC1-[2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
SMILESCc1c(C(C)NC(=O)Cn2ccc(C(=O)O)n2)cnn1C
InChIInChI=1S/C13H17N5O3/c1-8(10-6-14-17(3)9(10)2)15-12(19)7-18-5-4-11(16-18)13(20)21/h4-6,8H,7H2,1-3H3,(H,15,19)(H,20,21)
InChIKeyGEEJTFQMMOHVDF-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.50
Rot. Bonds5

About 1-[2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid

1-[2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid (PubChem CID 19624217) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 1-[2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
PubChem CID19624217
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name1-[2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
SMILESCc1c(C(C)NC(=O)Cn2ccc(C(=O)O)n2)cnn1C
InChIInChI=1S/C13H17N5O3/c1-8(10-6-14-17(3)9(10)2)15-12(19)7-18-5-4-11(16-18)13(20)21/h4-6,8H,7H2,1-3H3,(H,15,19)(H,20,21)
InChIKeyGEEJTFQMMOHVDF-UHFFFAOYSA-N
XLogP0.50
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 ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19623630
1-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-3-carboxylic acid
CID 19624153
1-[2-(butan-2-ylamino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19624158
N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide
CID 1247509
1-[(2,6-dichlorophenoxy)methyl]-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 19469080
1-[2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19624233
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19469126
2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide
CID 19469013
1-[2-oxo-2-[1-(4-pyrrol-1-ylphenyl)ethylamino]ethyl]pyrazole-3-carboxylic acid
CID 19502242
1-[2-oxo-2-[1-(4-propylphenyl)ethylamino]ethyl]pyrazole-3-carboxylic acid
CID 19502144
1-[2-(2,6-dimethylanilino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19502091
4-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide
CID 43696294

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-[2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid (CID 19624217) is 1-[2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-[2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid is Cc1c(C(C)NC(=O)Cn2ccc(C(=O)O)n2)cnn1C.
What is the InChIKey of 1-[2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid?
The InChIKey is GEEJTFQMMOHVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-8(10-6-14-17(3)9(10)2)15-12(19)7-18-5-4-11(16-18)13(20)21/h4-6,8H,7H2,1-3H3,(H,15,19)(H,20,21).
What are the key properties of 1-[2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid?
1-[2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid has a molecular weight of 291.31 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 19624217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).