4-[4-amino-3-(2-hydroxypropan-2-yl)pyrazol-1-yl]-2-methylcyclohexane-1-carboxylic acid

C14H23N3O3 — CID 146598748

IUPAC4-[4-amino-3-(2-hydroxypropan-2-yl)pyrazol-1-yl]-2-methylcyclohexane-1-carboxylic acid
SMILESCC1CC(n2cc(N)c(C(C)(C)O)n2)CCC1C(=O)O
InChIInChI=1S/C14H23N3O3/c1-8-6-9(4-5-10(8)13(18)19)17-7-11(15)12(16-17)14(2,3)20/h7-10,20H,4-6,15H2,1-3H3,(H,18,19)
InChIKeyZNROPAICAIMWKY-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.75
Rot. Bonds3

About 4-[4-amino-3-(2-hydroxypropan-2-yl)pyrazol-1-yl]-2-methylcyclohexane-1-carboxylic acid

4-[4-amino-3-(2-hydroxypropan-2-yl)pyrazol-1-yl]-2-methylcyclohexane-1-carboxylic acid (PubChem CID 146598748) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-[4-amino-3-(2-hydroxypropan-2-yl)pyrazol-1-yl]-2-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-amino-3-(2-hydroxypropan-2-yl)pyrazol-1-yl]-2-methylcyclohexane-1-carboxylic acid
PubChem CID146598748
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name4-[4-amino-3-(2-hydroxypropan-2-yl)pyrazol-1-yl]-2-methylcyclohexane-1-carboxylic acid
SMILESCC1CC(n2cc(N)c(C(C)(C)O)n2)CCC1C(=O)O
InChIInChI=1S/C14H23N3O3/c1-8-6-9(4-5-10(8)13(18)19)17-7-11(15)12(16-17)14(2,3)20/h7-10,20H,4-6,15H2,1-3H3,(H,18,19)
InChIKeyZNROPAICAIMWKY-UHFFFAOYSA-N
XLogP1.75
TPSA101.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-3-(2-hydroxypropan-2-yl)pyrazol-1-yl]-2-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 4-[4-amino-3-(2-hydroxypropan-2-yl)pyrazol-1-yl]-2-methylcyclohexane-1-carboxylic acid (CID 146598748) is 4-[4-amino-3-(2-hydroxypropan-2-yl)pyrazol-1-yl]-2-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[4-amino-3-(2-hydroxypropan-2-yl)pyrazol-1-yl]-2-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[4-amino-3-(2-hydroxypropan-2-yl)pyrazol-1-yl]-2-methylcyclohexane-1-carboxylic acid is CC1CC(n2cc(N)c(C(C)(C)O)n2)CCC1C(=O)O.
What is the InChIKey of 4-[4-amino-3-(2-hydroxypropan-2-yl)pyrazol-1-yl]-2-methylcyclohexane-1-carboxylic acid?
The InChIKey is ZNROPAICAIMWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-8-6-9(4-5-10(8)13(18)19)17-7-11(15)12(16-17)14(2,3)20/h7-10,20H,4-6,15H2,1-3H3,(H,18,19).
What are the key properties of 4-[4-amino-3-(2-hydroxypropan-2-yl)pyrazol-1-yl]-2-methylcyclohexane-1-carboxylic acid?
4-[4-amino-3-(2-hydroxypropan-2-yl)pyrazol-1-yl]-2-methylcyclohexane-1-carboxylic acid has a molecular weight of 281.36 g/mol, XLogP of 1.75, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-3-(2-hydroxypropan-2-yl)pyrazol-1-yl]-2-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 146598748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).