3-[[2-(1-cyclopropylethyl)pyrazol-3-yl]carbamoylamino]propanoic acid

C12H18N4O3 — CID 122090385

IUPAC3-[[2-(1-cyclopropylethyl)pyrazol-3-yl]carbamoylamino]propanoic acid
SMILESCC(C1CC1)n1nccc1NC(=O)NCCC(=O)O
InChIInChI=1S/C12H18N4O3/c1-8(9-2-3-9)16-10(4-7-14-16)15-12(19)13-6-5-11(17)18/h4,7-9H,2-3,5-6H2,1H3,(H,17,18)(H2,13,15,19)
InChIKeyHWFIEYMOSSUWTK-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.45
Rot. Bonds6

About 3-[[2-(1-cyclopropylethyl)pyrazol-3-yl]carbamoylamino]propanoic acid

3-[[2-(1-cyclopropylethyl)pyrazol-3-yl]carbamoylamino]propanoic acid (PubChem CID 122090385) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-[[2-(1-cyclopropylethyl)pyrazol-3-yl]carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(1-cyclopropylethyl)pyrazol-3-yl]carbamoylamino]propanoic acid
PubChem CID122090385
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name3-[[2-(1-cyclopropylethyl)pyrazol-3-yl]carbamoylamino]propanoic acid
SMILESCC(C1CC1)n1nccc1NC(=O)NCCC(=O)O
InChIInChI=1S/C12H18N4O3/c1-8(9-2-3-9)16-10(4-7-14-16)15-12(19)13-6-5-11(17)18/h4,7-9H,2-3,5-6H2,1H3,(H,17,18)(H2,13,15,19)
InChIKeyHWFIEYMOSSUWTK-UHFFFAOYSA-N
XLogP1.45
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]-2-oxoethyl]-methylamino]propanoic acid
CID 119911922
3-[[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]carbamoylamino]propanoic acid
CID 122089514
N'-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-N-(2-methylpropyl)oxamide
CID 97310300
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-phenoxyacetamide
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N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(4-phenylphenyl)acetamide
CID 112761634
1-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 124830183
1-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 119034271
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3,4-diethoxybenzamide
CID 18775613
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]piperidine-4-carboxamide;hydrochloride
CID 119269137
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(3,4-dichlorophenyl)acetamide
CID 112761641
2-(1-cyclopropylethyl)pyrazole-3-carboxylic acid
CID 164806432
N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-4-(1,2,4-triazol-1-yl)butanamide
CID 95625489

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(1-cyclopropylethyl)pyrazol-3-yl]carbamoylamino]propanoic acid?
The IUPAC name of 3-[[2-(1-cyclopropylethyl)pyrazol-3-yl]carbamoylamino]propanoic acid (CID 122090385) is 3-[[2-(1-cyclopropylethyl)pyrazol-3-yl]carbamoylamino]propanoic acid.
What is the SMILES notation for 3-[[2-(1-cyclopropylethyl)pyrazol-3-yl]carbamoylamino]propanoic acid?
The canonical SMILES for 3-[[2-(1-cyclopropylethyl)pyrazol-3-yl]carbamoylamino]propanoic acid is CC(C1CC1)n1nccc1NC(=O)NCCC(=O)O.
What is the InChIKey of 3-[[2-(1-cyclopropylethyl)pyrazol-3-yl]carbamoylamino]propanoic acid?
The InChIKey is HWFIEYMOSSUWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-8(9-2-3-9)16-10(4-7-14-16)15-12(19)13-6-5-11(17)18/h4,7-9H,2-3,5-6H2,1H3,(H,17,18)(H2,13,15,19).
What are the key properties of 3-[[2-(1-cyclopropylethyl)pyrazol-3-yl]carbamoylamino]propanoic acid?
3-[[2-(1-cyclopropylethyl)pyrazol-3-yl]carbamoylamino]propanoic acid has a molecular weight of 266.30 g/mol, XLogP of 1.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(1-cyclopropylethyl)pyrazol-3-yl]carbamoylamino]propanoic acid is sourced from PubChem (CID 122090385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).