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

C13H19N3O3 — CID 119213991

IUPAC2-cyclopropyl-2-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid
SMILESCC(C)c1cc(C(=O)NC(C(=O)O)C2CC2)nn1C
InChIInChI=1S/C13H19N3O3/c1-7(2)10-6-9(15-16(10)3)12(17)14-11(13(18)19)8-4-5-8/h6-8,11H,4-5H2,1-3H3,(H,14,17)(H,18,19)
InChIKeyYECBDEUNWVFQOV-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.14
Rot. Bonds5

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

2-cyclopropyl-2-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid (PubChem CID 119213991) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid
PubChem CID119213991
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-cyclopropyl-2-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid
SMILESCC(C)c1cc(C(=O)NC(C(=O)O)C2CC2)nn1C
InChIInChI=1S/C13H19N3O3/c1-7(2)10-6-9(15-16(10)3)12(17)14-11(13(18)19)8-4-5-8/h6-8,11H,4-5H2,1-3H3,(H,14,17)(H,18,19)
InChIKeyYECBDEUNWVFQOV-UHFFFAOYSA-N
XLogP1.14
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]acetic acid
CID 62697253
2-[(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)amino]-2-cyclopropylacetic acid
CID 119214078
5-cyclohexyl-4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]pentanoic acid
CID 122056821
N-(4-hydroxyphenyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide
CID 75386647
2-[(5-cyclopropyl-1-methylpyrazole-3-carbonyl)amino]propanoic acid
CID 119349056
2-[cyclopropyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid
CID 119203427
1-methyl-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride
CID 119511635
2-cyclopropyl-2-(thiadiazole-4-carbonylamino)acetic acid
CID 65214444
2-cyclopropyl-2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]amino]acetic acid
CID 120521108
1-methyl-N-[2-(methylamino)ethyl]-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride
CID 119501561
2-cyclopropyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]acetic acid
CID 62694960
1-methyl-N-[2-(methylamino)propyl]-5-propan-2-ylpyrazole-3-carboxamide
CID 120828370

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid (CID 119213991) is 2-cyclopropyl-2-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid is CC(C)c1cc(C(=O)NC(C(=O)O)C2CC2)nn1C.
What is the InChIKey of 2-cyclopropyl-2-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid?
The InChIKey is YECBDEUNWVFQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-7(2)10-6-9(15-16(10)3)12(17)14-11(13(18)19)8-4-5-8/h6-8,11H,4-5H2,1-3H3,(H,14,17)(H,18,19).
What are the key properties of 2-cyclopropyl-2-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid?
2-cyclopropyl-2-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 119213991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).