2-[5-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrazol-1-yl]propanoic acid

C13H17N5O3 — CID 19487864

IUPAC2-[5-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrazol-1-yl]propanoic acid
SMILESCC(Cn1cccn1)NC(=O)c1ccnn1C(C)C(=O)O
InChIInChI=1S/C13H17N5O3/c1-9(8-17-7-3-5-14-17)16-12(19)11-4-6-15-18(11)10(2)13(20)21/h3-7,9-10H,8H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyGASIMOPULUUCPO-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.54
Rot. Bonds6

About 2-[5-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrazol-1-yl]propanoic acid

2-[5-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrazol-1-yl]propanoic acid (PubChem CID 19487864) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-[5-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[5-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrazol-1-yl]propanoic acid
PubChem CID19487864
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name2-[5-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrazol-1-yl]propanoic acid
SMILESCC(Cn1cccn1)NC(=O)c1ccnn1C(C)C(=O)O
InChIInChI=1S/C13H17N5O3/c1-9(8-17-7-3-5-14-17)16-12(19)11-4-6-15-18(11)10(2)13(20)21/h3-7,9-10H,8H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyGASIMOPULUUCPO-UHFFFAOYSA-N
XLogP0.54
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(1-phenylpropylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19487542
2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)benzoic acid
CID 60940603
3-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]furan-2-carboxamide
CID 38611766
3-methyl-N-(1-pyrazol-1-ylpropan-2-yl)furan-2-carboxamide
CID 51079611
5-bromo-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]furan-2-carboxamide
CID 38608481
2-[3-oxo-3-(1-pyrazol-1-ylpropan-2-ylamino)propyl]pyrazole-3-carboxylic acid
CID 19494063
2-[5-[[4-[(1-ethylpyrazole-3-carbonyl)amino]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19487715
2-(1-carboxyethyl)pyrazole-3-carboxylic acid
CID 19489942
3,5-dihydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 103891981
2-amino-6-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 61459501
4-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 43695373
2-[5-[(1-methylpyrazol-3-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19487657

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-[5-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrazol-1-yl]propanoic acid (CID 19487864) is 2-[5-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[5-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[5-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrazol-1-yl]propanoic acid is CC(Cn1cccn1)NC(=O)c1ccnn1C(C)C(=O)O.
What is the InChIKey of 2-[5-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrazol-1-yl]propanoic acid?
The InChIKey is GASIMOPULUUCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-9(8-17-7-3-5-14-17)16-12(19)11-4-6-15-18(11)10(2)13(20)21/h3-7,9-10H,8H2,1-2H3,(H,16,19)(H,20,21).
What are the key properties of 2-[5-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrazol-1-yl]propanoic acid?
2-[5-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrazol-1-yl]propanoic acid has a molecular weight of 291.31 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19487864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).