3-[methyl-[(1-phenyl-3-propan-2-ylpyrazol-5-yl)carbamoyl]amino]propanoic acid

C17H22N4O3 — CID 122093816

IUPAC3-[methyl-[(1-phenyl-3-propan-2-ylpyrazol-5-yl)carbamoyl]amino]propanoic acid
SMILESCC(C)c1cc(NC(=O)N(C)CCC(=O)O)n(-c2ccccc2)n1
InChIInChI=1S/C17H22N4O3/c1-12(2)14-11-15(18-17(24)20(3)10-9-16(22)23)21(19-14)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,18,24)(H,22,23)
InChIKeyDRFXGJUWHRFRHP-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.93
Rot. Bonds6

About 3-[methyl-[(1-phenyl-3-propan-2-ylpyrazol-5-yl)carbamoyl]amino]propanoic acid

3-[methyl-[(1-phenyl-3-propan-2-ylpyrazol-5-yl)carbamoyl]amino]propanoic acid (PubChem CID 122093816) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 3-[methyl-[(1-phenyl-3-propan-2-ylpyrazol-5-yl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[(1-phenyl-3-propan-2-ylpyrazol-5-yl)carbamoyl]amino]propanoic acid
PubChem CID122093816
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name3-[methyl-[(1-phenyl-3-propan-2-ylpyrazol-5-yl)carbamoyl]amino]propanoic acid
SMILESCC(C)c1cc(NC(=O)N(C)CCC(=O)O)n(-c2ccccc2)n1
InChIInChI=1S/C17H22N4O3/c1-12(2)14-11-15(18-17(24)20(3)10-9-16(22)23)21(19-14)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,18,24)(H,22,23)
InChIKeyDRFXGJUWHRFRHP-UHFFFAOYSA-N
XLogP2.93
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylamino)propyl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide
CID 91641257
1-[2-(2-oxo-1-pyridinyl)-1-phenylethyl]-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea
CID 146132758
1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea
CID 72870620
2-(benzimidazol-1-yl)-N-(1-phenyl-3-propan-2-ylpyrazol-5-yl)acetamide;2,2,2-trifluoroacetic acid
CID 154887192
N-(1,3-diphenylpyrazol-5-yl)-4-methylpentanamide
CID 46087809
4-(methylamino)-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]butanamide;hydrochloride
CID 119797176
3-[methyl-[(3-propan-2-ylphenyl)methylcarbamoyl]amino]propanoic acid
CID 122010578
cyclohepta-1,3,6-trien-1-yl 2-[(1-phenyl-3-propan-2-ylpyrazol-5-yl)amino]acetate
CID 143215941
2-(dimethylamino)-N-(1,3-diphenylpyrazol-5-yl)propanamide;hydron;chloride
CID 67108596
3-[methyl-[(3-pyrrolidin-1-ylphenyl)carbamoyl]amino]propanoic acid
CID 122078062
3-[methyl-[[3-(methylaminomethyl)phenyl]carbamoyl]amino]propanoic acid
CID 55134853
1-methyl-3-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-1-(2-thiophen-2-ylethyl)urea
CID 75422929

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(1-phenyl-3-propan-2-ylpyrazol-5-yl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[(1-phenyl-3-propan-2-ylpyrazol-5-yl)carbamoyl]amino]propanoic acid (CID 122093816) is 3-[methyl-[(1-phenyl-3-propan-2-ylpyrazol-5-yl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[(1-phenyl-3-propan-2-ylpyrazol-5-yl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[(1-phenyl-3-propan-2-ylpyrazol-5-yl)carbamoyl]amino]propanoic acid is CC(C)c1cc(NC(=O)N(C)CCC(=O)O)n(-c2ccccc2)n1.
What is the InChIKey of 3-[methyl-[(1-phenyl-3-propan-2-ylpyrazol-5-yl)carbamoyl]amino]propanoic acid?
The InChIKey is DRFXGJUWHRFRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-12(2)14-11-15(18-17(24)20(3)10-9-16(22)23)21(19-14)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,18,24)(H,22,23).
What are the key properties of 3-[methyl-[(1-phenyl-3-propan-2-ylpyrazol-5-yl)carbamoyl]amino]propanoic acid?
3-[methyl-[(1-phenyl-3-propan-2-ylpyrazol-5-yl)carbamoyl]amino]propanoic acid has a molecular weight of 330.39 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(1-phenyl-3-propan-2-ylpyrazol-5-yl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 122093816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).