3-[(5-propyl-1H-pyrazole-3-carbonyl)amino]propanoic acid

C10H15N3O3 — CID 115596365

IUPAC3-[(5-propyl-1H-pyrazole-3-carbonyl)amino]propanoic acid
SMILESCCCc1cc(C(=O)NCCC(=O)O)n[nH]1
InChIInChI=1S/C10H15N3O3/c1-2-3-7-6-8(13-12-7)10(16)11-5-4-9(14)15/h6H,2-5H2,1H3,(H,11,16)(H,12,13)(H,14,15)
InChIKeyMQVPONNHHIECPH-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.57
Rot. Bonds6

About 3-[(5-propyl-1H-pyrazole-3-carbonyl)amino]propanoic acid

3-[(5-propyl-1H-pyrazole-3-carbonyl)amino]propanoic acid (PubChem CID 115596365) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-[(5-propyl-1H-pyrazole-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(5-propyl-1H-pyrazole-3-carbonyl)amino]propanoic acid
PubChem CID115596365
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name3-[(5-propyl-1H-pyrazole-3-carbonyl)amino]propanoic acid
SMILESCCCc1cc(C(=O)NCCC(=O)O)n[nH]1
InChIInChI=1S/C10H15N3O3/c1-2-3-7-6-8(13-12-7)10(16)11-5-4-9(14)15/h6H,2-5H2,1H3,(H,11,16)(H,12,13)(H,14,15)
InChIKeyMQVPONNHHIECPH-UHFFFAOYSA-N
XLogP0.57
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-pentyl-5-propyl-1H-pyrazole-3-carboxamide
CID 36701505
N-[(2S)-2-hydroxy-2-phenylethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 97118692
(2S)-3-methyl-2-[(5-propyl-1H-pyrazole-3-carbonyl)amino]butanoic acid
CID 97209644
N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 70734717
N-[2-(2-oxopiperidin-1-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 131936665
N-naphthalen-1-yl-5-propyl-1H-pyrazole-3-carboxamide
CID 25353565
N-[[4-(ethylcarbamoyl)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 87045448
N-(3,4-dimethylphenyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 55555026
N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 97128347
N-[(3-chlorophenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 55554809
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 37263896
N-[3-(3-oxopiperazin-1-yl)propyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 74232639

Frequently Asked Questions

What is the IUPAC name of 3-[(5-propyl-1H-pyrazole-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[(5-propyl-1H-pyrazole-3-carbonyl)amino]propanoic acid (CID 115596365) is 3-[(5-propyl-1H-pyrazole-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(5-propyl-1H-pyrazole-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(5-propyl-1H-pyrazole-3-carbonyl)amino]propanoic acid is CCCc1cc(C(=O)NCCC(=O)O)n[nH]1.
What is the InChIKey of 3-[(5-propyl-1H-pyrazole-3-carbonyl)amino]propanoic acid?
The InChIKey is MQVPONNHHIECPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-2-3-7-6-8(13-12-7)10(16)11-5-4-9(14)15/h6H,2-5H2,1H3,(H,11,16)(H,12,13)(H,14,15).
What are the key properties of 3-[(5-propyl-1H-pyrazole-3-carbonyl)amino]propanoic acid?
3-[(5-propyl-1H-pyrazole-3-carbonyl)amino]propanoic acid has a molecular weight of 225.25 g/mol, XLogP of 0.57, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-propyl-1H-pyrazole-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 115596365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).