2-[4-[(5-ethyl-1H-pyrazole-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid

C13H17N5O3 — CID 120697814

IUPAC2-[4-[(5-ethyl-1H-pyrazole-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
SMILESCCc1cc(C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)n[nH]1
InChIInChI=1S/C13H17N5O3/c1-4-8-5-10(17-16-8)11(19)15-9-6-14-18(7-9)13(2,3)12(20)21/h5-7H,4H2,1-3H3,(H,15,19)(H,16,17)(H,20,21)
InChIKeyZJDSPXARXDHXOH-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.24
Rot. Bonds5

About 2-[4-[(5-ethyl-1H-pyrazole-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid

2-[4-[(5-ethyl-1H-pyrazole-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid (PubChem CID 120697814) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-[4-[(5-ethyl-1H-pyrazole-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[(5-ethyl-1H-pyrazole-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
PubChem CID120697814
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name2-[4-[(5-ethyl-1H-pyrazole-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
SMILESCCc1cc(C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)n[nH]1
InChIInChI=1S/C13H17N5O3/c1-4-8-5-10(17-16-8)11(19)15-9-6-14-18(7-9)13(2,3)12(20)21/h5-7H,4H2,1-3H3,(H,15,19)(H,16,17)(H,20,21)
InChIKeyZJDSPXARXDHXOH-UHFFFAOYSA-N
XLogP1.24
TPSA112.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(4-tert-butylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696583
2-[(5-ethyl-1H-pyrazole-3-carbonyl)amino]-2-methylpentanoic acid
CID 119192093
2-[4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697436
2-methyl-2-[4-[(4-methylbenzoyl)amino]pyrazol-1-yl]propanoic acid
CID 120696431
2-[4-[[2-(2-methoxyethoxy)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696437
2-[4-[[4-(diethylcarbamoyl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696513
2-methyl-2-[4-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]pyrazol-1-yl]propanoic acid
CID 120697503
2-[4-[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697747
2-[4-[(3-fluoro-5-methylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696220
2-[4-(2,3-dimethylpentanoylamino)pyrazol-1-yl]-2-methylpropanoic acid
CID 120697322
5-ethyl-N-[4-(ethylcarbamoyl)phenyl]-1H-pyrazole-3-carboxamide
CID 78901950
2-[4-[(5-bromothiophene-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696576

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-ethyl-1H-pyrazole-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[(5-ethyl-1H-pyrazole-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid (CID 120697814) is 2-[4-[(5-ethyl-1H-pyrazole-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[(5-ethyl-1H-pyrazole-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[(5-ethyl-1H-pyrazole-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid is CCc1cc(C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)n[nH]1.
What is the InChIKey of 2-[4-[(5-ethyl-1H-pyrazole-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid?
The InChIKey is ZJDSPXARXDHXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-4-8-5-10(17-16-8)11(19)15-9-6-14-18(7-9)13(2,3)12(20)21/h5-7H,4H2,1-3H3,(H,15,19)(H,16,17)(H,20,21).
What are the key properties of 2-[4-[(5-ethyl-1H-pyrazole-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid?
2-[4-[(5-ethyl-1H-pyrazole-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid has a molecular weight of 291.31 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-ethyl-1H-pyrazole-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid is sourced from PubChem (CID 120697814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).