2-[cyclopropyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid

C14H21N3O3 — CID 119203427

IUPAC2-[cyclopropyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid
SMILESCC(C)c1cc(C(=O)N(C2CC2)C(C)C(=O)O)nn1C
InChIInChI=1S/C14H21N3O3/c1-8(2)12-7-11(15-16(12)4)13(18)17(10-5-6-10)9(3)14(19)20/h7-10H,5-6H2,1-4H3,(H,19,20)
InChIKeyNIECBVUBEFWMJQ-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.62
Rot. Bonds5

About 2-[cyclopropyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid

2-[cyclopropyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid (PubChem CID 119203427) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[cyclopropyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid
PubChem CID119203427
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[cyclopropyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid
SMILESCC(C)c1cc(C(=O)N(C2CC2)C(C)C(=O)O)nn1C
InChIInChI=1S/C14H21N3O3/c1-8(2)12-7-11(15-16(12)4)13(18)17(10-5-6-10)9(3)14(19)20/h7-10H,5-6H2,1-4H3,(H,19,20)
InChIKeyNIECBVUBEFWMJQ-UHFFFAOYSA-N
XLogP1.62
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid
CID 119209552
3-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)-(oxan-4-yl)amino]propanoic acid
CID 122146490
2-[cyclopropyl(pyridine-4-carbonyl)amino]propanoic acid
CID 119203438
2-[cyclopropyl-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid
CID 122067300
2-cyclopropyl-2-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid
CID 119213991
2-[cyclopropyl-(5-methyl-2-pentan-3-ylpyrazole-3-carbonyl)amino]propanoic acid
CID 122067570
2-[cyclopropyl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoic acid
CID 119202136
2-[(4-bromo-1-methylpyrrole-2-carbonyl)-cyclopropylamino]propanoic acid
CID 119202223
2-[cyclopropyl-[1-(2,4-difluorophenyl)pyrazole-3-carbonyl]amino]propanoic acid
CID 122067551
N-ethyl-N-[(2R)-1-methoxypropan-2-yl]-1-methyl-5-propan-2-ylpyrazole-3-carboxamide
CID 97219843
[(2S)-2-(aminomethyl)piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone
CID 124573456
2-[[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]-cyclopropylamino]propanoic acid
CID 120519348

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid (CID 119203427) is 2-[cyclopropyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid is CC(C)c1cc(C(=O)N(C2CC2)C(C)C(=O)O)nn1C.
What is the InChIKey of 2-[cyclopropyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid?
The InChIKey is NIECBVUBEFWMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-8(2)12-7-11(15-16(12)4)13(18)17(10-5-6-10)9(3)14(19)20/h7-10H,5-6H2,1-4H3,(H,19,20).
What are the key properties of 2-[cyclopropyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid?
2-[cyclopropyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid has a molecular weight of 279.34 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119203427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).