3-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)propan-1-amine

C15H27N3 — CID 79225212

IUPAC3-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)propan-1-amine
SMILESCc1nn(C2CCCCCC2)c(C)c1CCCN
InChIInChI=1S/C15H27N3/c1-12-15(10-7-11-16)13(2)18(17-12)14-8-5-3-4-6-9-14/h14H,3-11,16H2,1-2H3
InChIKeyUYRKFCVAVABVJC-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.29
Rot. Bonds4

About 3-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)propan-1-amine

3-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)propan-1-amine (PubChem CID 79225212) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 3-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)propan-1-amine
PubChem CID79225212
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name3-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)propan-1-amine
SMILESCc1nn(C2CCCCCC2)c(C)c1CCCN
InChIInChI=1S/C15H27N3/c1-12-15(10-7-11-16)13(2)18(17-12)14-8-5-3-4-6-9-14/h14H,3-11,16H2,1-2H3
InChIKeyUYRKFCVAVABVJC-UHFFFAOYSA-N
XLogP3.29
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)ethanol
CID 105498185
3-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)-N-methylpropan-1-amine
CID 79225067
3-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)-N-propan-2-ylpropan-1-amine
CID 79224992
2-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethanamine
CID 105498199
1-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)-N-methylmethanamine
CID 61272512
1-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)butan-2-amine
CID 62730242
2-(1-cyclopropyl-3,5-dimethylpyrazol-4-yl)ethanol
CID 105438944
3-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)-2-methylpropanoic acid
CID 65295795
5-chloro-1-cycloheptyl-4-ethyl-3-methylpyrazole
CID 66023049
3-(1-cycloheptyltetrazol-5-yl)propan-1-amine
CID 82228405
1-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)cyclopropan-1-amine
CID 105475005
3-[3,5-dimethyl-1-(oxolan-3-yl)pyrazol-4-yl]propan-1-ol
CID 105482134

Frequently Asked Questions

What is the IUPAC name of 3-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 3-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)propan-1-amine (CID 79225212) is 3-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 3-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 3-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)propan-1-amine is Cc1nn(C2CCCCCC2)c(C)c1CCCN.
What is the InChIKey of 3-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)propan-1-amine?
The InChIKey is UYRKFCVAVABVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-12-15(10-7-11-16)13(2)18(17-12)14-8-5-3-4-6-9-14/h14H,3-11,16H2,1-2H3.
What are the key properties of 3-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)propan-1-amine?
3-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)propan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.29, 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)propan-1-amine is sourced from PubChem (CID 79225212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).