2-[1-[[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]methyl]cyclobutyl]acetic acid

C13H19N3O3 — CID 81163599

IUPAC2-[1-[[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]methyl]cyclobutyl]acetic acid
SMILESCc1n[nH]c(C)c1C(=O)NCC1(CC(=O)O)CCC1
InChIInChI=1S/C13H19N3O3/c1-8-11(9(2)16-15-8)12(19)14-7-13(4-3-5-13)6-10(17)18/h3-7H2,1-2H3,(H,14,19)(H,15,16)(H,17,18)
InChIKeyLYOHHDFYNJZPCL-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.40
Rot. Bonds5

About 2-[1-[[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]methyl]cyclobutyl]acetic acid

2-[1-[[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]methyl]cyclobutyl]acetic acid (PubChem CID 81163599) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[1-[[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]methyl]cyclobutyl]acetic acid
PubChem CID81163599
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[1-[[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]methyl]cyclobutyl]acetic acid
SMILESCc1n[nH]c(C)c1C(=O)NCC1(CC(=O)O)CCC1
InChIInChI=1S/C13H19N3O3/c1-8-11(9(2)16-15-8)12(19)14-7-13(4-3-5-13)6-10(17)18/h3-7H2,1-2H3,(H,14,19)(H,15,16)(H,17,18)
InChIKeyLYOHHDFYNJZPCL-UHFFFAOYSA-N
XLogP1.40
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-methylidenepentanoic acid
CID 121378023
4-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-methylidenebutanoic acid
CID 141402899
6-[(1,3,5-Trimethylpyrazole-4-carbonyl)amino]hexanoic acid
CID 28742375
4-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]butanoic acid
CID 43170756
7-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]heptanoic acid
CID 43172056
6-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]hexanoic acid
CID 43352916
N-(cyclobutylmethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582035
N-(4-hydroxycyclohexyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582365
6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]hexanoic acid
CID 43583165
2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-methylpentanoic acid
CID 43583170
2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-3-methylbutanoic acid
CID 43583174
1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidine-4-carboxylic acid
CID 43583175

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]methyl]cyclobutyl]acetic acid (CID 81163599) is 2-[1-[[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]methyl]cyclobutyl]acetic acid is Cc1n[nH]c(C)c1C(=O)NCC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]methyl]cyclobutyl]acetic acid?
The InChIKey is LYOHHDFYNJZPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8-11(9(2)16-15-8)12(19)14-7-13(4-3-5-13)6-10(17)18/h3-7H2,1-2H3,(H,14,19)(H,15,16)(H,17,18).
What are the key properties of 2-[1-[[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]methyl]cyclobutyl]acetic acid?
2-[1-[[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]methyl]cyclobutyl]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.40, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81163599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).