3-cyclopropyl-3-[(1-methylpyrazole-3-carbonyl)amino]propanoic acid

C11H15N3O3 — CID 103117164

IUPAC3-cyclopropyl-3-[(1-methylpyrazole-3-carbonyl)amino]propanoic acid
SMILESCn1ccc(C(=O)NC(CC(=O)O)C2CC2)n1
InChIInChI=1S/C11H15N3O3/c1-14-5-4-8(13-14)11(17)12-9(6-10(15)16)7-2-3-7/h4-5,7,9H,2-3,6H2,1H3,(H,12,17)(H,15,16)
InChIKeyHFLAOPMQMRLFQI-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.40
Rot. Bonds5

About 3-cyclopropyl-3-[(1-methylpyrazole-3-carbonyl)amino]propanoic acid

3-cyclopropyl-3-[(1-methylpyrazole-3-carbonyl)amino]propanoic acid (PubChem CID 103117164) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-cyclopropyl-3-[(1-methylpyrazole-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-[(1-methylpyrazole-3-carbonyl)amino]propanoic acid
PubChem CID103117164
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3-cyclopropyl-3-[(1-methylpyrazole-3-carbonyl)amino]propanoic acid
SMILESCn1ccc(C(=O)NC(CC(=O)O)C2CC2)n1
InChIInChI=1S/C11H15N3O3/c1-14-5-4-8(13-14)11(17)12-9(6-10(15)16)7-2-3-7/h4-5,7,9H,2-3,6H2,1H3,(H,12,17)(H,15,16)
InChIKeyHFLAOPMQMRLFQI-UHFFFAOYSA-N
XLogP0.40
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(Methylcarbamoyl)pyrazol-1-yl]butanoic acid
CID 64777796
5-(1-Ethylpyrazole-3-carbonyl)-9-(hydroxymethyl)-1,5-diazacycloundecan-2-one
CID 110201507
1-cyclopentyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrazole-3-carboxamide
CID 75483755
(3S)-3-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]hexanoic acid
CID 100243078
N-[(1S)-1-(aminocarbonyl)-3-methylbutyl]-1-isopropyl-1H-pyrazole-5-carboxamide
CID 119066771
N-[2-[[(2S)-2-methylpentanoyl]amino]ethyl]-1-propan-2-ylpyrazole-3-carboxamide
CID 125143578
Methyl 4-methyl-2-[(1-methylpyrazole-3-carbonyl)amino]hexanoate
CID 126835294
1-[(2-Methylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43664822
2-[[2-[3-(Trifluoromethyl)pyrazol-1-yl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 64813881
3,3,3-Trifluoro-2-[[3-(methylcarbamoyl)pyrazol-1-yl]methyl]propanoic acid
CID 80997286
3-Cyclopropyl-3-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]propanoic acid
CID 81368723
4-Methyl-3-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pentanoic acid
CID 81971464

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[(1-methylpyrazole-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-cyclopropyl-3-[(1-methylpyrazole-3-carbonyl)amino]propanoic acid (CID 103117164) is 3-cyclopropyl-3-[(1-methylpyrazole-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-[(1-methylpyrazole-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-[(1-methylpyrazole-3-carbonyl)amino]propanoic acid is Cn1ccc(C(=O)NC(CC(=O)O)C2CC2)n1.
What is the InChIKey of 3-cyclopropyl-3-[(1-methylpyrazole-3-carbonyl)amino]propanoic acid?
The InChIKey is HFLAOPMQMRLFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-14-5-4-8(13-14)11(17)12-9(6-10(15)16)7-2-3-7/h4-5,7,9H,2-3,6H2,1H3,(H,12,17)(H,15,16).
What are the key properties of 3-cyclopropyl-3-[(1-methylpyrazole-3-carbonyl)amino]propanoic acid?
3-cyclopropyl-3-[(1-methylpyrazole-3-carbonyl)amino]propanoic acid has a molecular weight of 237.26 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[(1-methylpyrazole-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 103117164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).