2-[4-(3-pyrazol-1-ylpropylcarbamoyl)pyrazol-1-yl]propanoic acid

C13H17N5O3 — CID 19504757

IUPAC2-[4-(3-pyrazol-1-ylpropylcarbamoyl)pyrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1cc(C(=O)NCCCn2cccn2)cn1
InChIInChI=1S/C13H17N5O3/c1-10(13(20)21)18-9-11(8-16-18)12(19)14-4-2-6-17-7-3-5-15-17/h3,5,7-10H,2,4,6H2,1H3,(H,14,19)(H,20,21)
InChIKeyMPBZHFAOIOTACE-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.55
Rot. Bonds7

About 2-[4-(3-pyrazol-1-ylpropylcarbamoyl)pyrazol-1-yl]propanoic acid

2-[4-(3-pyrazol-1-ylpropylcarbamoyl)pyrazol-1-yl]propanoic acid (PubChem CID 19504757) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-[4-(3-pyrazol-1-ylpropylcarbamoyl)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(3-pyrazol-1-ylpropylcarbamoyl)pyrazol-1-yl]propanoic acid
PubChem CID19504757
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name2-[4-(3-pyrazol-1-ylpropylcarbamoyl)pyrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1cc(C(=O)NCCCn2cccn2)cn1
InChIInChI=1S/C13H17N5O3/c1-10(13(20)21)18-9-11(8-16-18)12(19)14-4-2-6-17-7-3-5-15-17/h3,5,7-10H,2,4,6H2,1H3,(H,14,19)(H,20,21)
InChIKeyMPBZHFAOIOTACE-UHFFFAOYSA-N
XLogP0.55
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(3-pyrazol-1-ylpropylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19504324
2-[4-(3-ethoxypropylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19622068
2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504805
N-(10-pyrazol-1-yldecyl)benzamide
CID 14662167
N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide
CID 35285072
2-[4-[[1-(ethoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504753
2-[4-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19504825
3-methyl-N-(3-pyrazol-1-ylpropyl)benzamide
CID 19332230
2-[4-[(2-chlorophenyl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19502955
1-[1-[3-(4-bromopyrazol-1-yl)propylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19505060
6-[(1R)-1-phenylethoxy]-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
CID 51956127
N-[2-[[N'-methyl-N-(3-pyrazol-1-ylpropyl)carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111904534

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-pyrazol-1-ylpropylcarbamoyl)pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-[4-(3-pyrazol-1-ylpropylcarbamoyl)pyrazol-1-yl]propanoic acid (CID 19504757) is 2-[4-(3-pyrazol-1-ylpropylcarbamoyl)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(3-pyrazol-1-ylpropylcarbamoyl)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(3-pyrazol-1-ylpropylcarbamoyl)pyrazol-1-yl]propanoic acid is CC(C(=O)O)n1cc(C(=O)NCCCn2cccn2)cn1.
What is the InChIKey of 2-[4-(3-pyrazol-1-ylpropylcarbamoyl)pyrazol-1-yl]propanoic acid?
The InChIKey is MPBZHFAOIOTACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-10(13(20)21)18-9-11(8-16-18)12(19)14-4-2-6-17-7-3-5-15-17/h3,5,7-10H,2,4,6H2,1H3,(H,14,19)(H,20,21).
What are the key properties of 2-[4-(3-pyrazol-1-ylpropylcarbamoyl)pyrazol-1-yl]propanoic acid?
2-[4-(3-pyrazol-1-ylpropylcarbamoyl)pyrazol-1-yl]propanoic acid has a molecular weight of 291.31 g/mol, XLogP of 0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-pyrazol-1-ylpropylcarbamoyl)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19504757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).