3-[methyl-(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoic acid

C11H17N3O3 — CID 110835367

IUPAC3-[methyl-(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoic acid
SMILESCC(C)c1cc(C(=O)N(C)CCC(=O)O)n[nH]1
InChIInChI=1S/C11H17N3O3/c1-7(2)8-6-9(13-12-8)11(17)14(3)5-4-10(15)16/h6-7H,4-5H2,1-3H3,(H,12,13)(H,15,16)
InChIKeyLZFDQZLJJCAHSZ-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.08
Rot. Bonds5

About 3-[methyl-(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoic acid

3-[methyl-(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoic acid (PubChem CID 110835367) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-[methyl-(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoic acid
PubChem CID110835367
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name3-[methyl-(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoic acid
SMILESCC(C)c1cc(C(=O)N(C)CCC(=O)O)n[nH]1
InChIInChI=1S/C11H17N3O3/c1-7(2)8-6-9(13-12-8)11(17)14(3)5-4-10(15)16/h6-7H,4-5H2,1-3H3,(H,12,13)(H,15,16)
InChIKeyLZFDQZLJJCAHSZ-UHFFFAOYSA-N
XLogP1.08
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119652672
N-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 47245198
N-piperidin-4-yl-5-propan-2-yl-N-propyl-1H-pyrazole-3-carboxamide
CID 119823212
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 122169759
3-[methyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
CID 20586201
6-oxo-6-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]hexanoic acid
CID 104617331
3-[methyl-(1-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid
CID 119232438
4-[methyl-(4-methyl-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]butanoic acid
CID 110836565
N-methyl-5-propan-2-yl-N-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrazole-3-carboxamide
CID 129334863
N-(3-methoxypropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 47213767
(2S)-4-methyl-2-[[2-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]acetyl]amino]pentanoic acid
CID 120695591
3-[(5-tert-butyl-1H-pyrazole-3-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 119190641

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[methyl-(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoic acid (CID 110835367) is 3-[methyl-(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl-(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[methyl-(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoic acid is CC(C)c1cc(C(=O)N(C)CCC(=O)O)n[nH]1.
What is the InChIKey of 3-[methyl-(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoic acid?
The InChIKey is LZFDQZLJJCAHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7(2)8-6-9(13-12-8)11(17)14(3)5-4-10(15)16/h6-7H,4-5H2,1-3H3,(H,12,13)(H,15,16).
What are the key properties of 3-[methyl-(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoic acid?
3-[methyl-(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoic acid has a molecular weight of 239.27 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 110835367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).