3-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)-2-methylpropanoic acid

C16H26N2O2 — CID 65295795

IUPAC3-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)-2-methylpropanoic acid
SMILESCc1nn(C2CCCCCC2)c(C)c1CC(C)C(=O)O
InChIInChI=1S/C16H26N2O2/c1-11(16(19)20)10-15-12(2)17-18(13(15)3)14-8-6-4-5-7-9-14/h11,14H,4-10H2,1-3H3,(H,19,20)
InChIKeySYIBLWNLYVGWNX-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.66
Rot. Bonds4

About 3-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)-2-methylpropanoic acid

3-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)-2-methylpropanoic acid (PubChem CID 65295795) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)-2-methylpropanoic acid
PubChem CID65295795
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)-2-methylpropanoic acid
SMILESCc1nn(C2CCCCCC2)c(C)c1CC(C)C(=O)O
InChIInChI=1S/C16H26N2O2/c1-11(16(19)20)10-15-12(2)17-18(13(15)3)14-8-6-4-5-7-9-14/h11,14H,4-10H2,1-3H3,(H,19,20)
InChIKeySYIBLWNLYVGWNX-UHFFFAOYSA-N
XLogP3.66
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)-2-methylpropanoic acid (CID 65295795) is 3-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)-2-methylpropanoic acid is Cc1nn(C2CCCCCC2)c(C)c1CC(C)C(=O)O.
What is the InChIKey of 3-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)-2-methylpropanoic acid?
The InChIKey is SYIBLWNLYVGWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11(16(19)20)10-15-12(2)17-18(13(15)3)14-8-6-4-5-7-9-14/h11,14H,4-10H2,1-3H3,(H,19,20).
What are the key properties of 3-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)-2-methylpropanoic acid?
3-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)-2-methylpropanoic acid has a molecular weight of 278.40 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)-2-methylpropanoic acid is sourced from PubChem (CID 65295795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).