4,4-dimethyl-N-(2-pyrazol-1-ylphenyl)cycloheptan-1-amine

C18H25N3 — CID 65084094

IUPAC4,4-dimethyl-N-(2-pyrazol-1-ylphenyl)cycloheptan-1-amine
SMILESCC1(C)CCCC(Nc2ccccc2-n2cccn2)CC1
InChIInChI=1S/C18H25N3/c1-18(2)11-5-7-15(10-12-18)20-16-8-3-4-9-17(16)21-14-6-13-19-21/h3-4,6,8-9,13-15,20H,5,7,10-12H2,1-2H3
InChIKeyYXKSONBQBKHKAD-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.64
Rot. Bonds3

About 4,4-dimethyl-N-(2-pyrazol-1-ylphenyl)cycloheptan-1-amine

4,4-dimethyl-N-(2-pyrazol-1-ylphenyl)cycloheptan-1-amine (PubChem CID 65084094) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 4,4-dimethyl-N-(2-pyrazol-1-ylphenyl)cycloheptan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-(2-pyrazol-1-ylphenyl)cycloheptan-1-amine
PubChem CID65084094
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name4,4-dimethyl-N-(2-pyrazol-1-ylphenyl)cycloheptan-1-amine
SMILESCC1(C)CCCC(Nc2ccccc2-n2cccn2)CC1
InChIInChI=1S/C18H25N3/c1-18(2)11-5-7-15(10-12-18)20-16-8-3-4-9-17(16)21-14-6-13-19-21/h3-4,6,8-9,13-15,20H,5,7,10-12H2,1-2H3
InChIKeyYXKSONBQBKHKAD-UHFFFAOYSA-N
XLogP4.64
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-(2-pyrazol-1-ylphenyl)cycloheptan-1-amine?
The IUPAC name of 4,4-dimethyl-N-(2-pyrazol-1-ylphenyl)cycloheptan-1-amine (CID 65084094) is 4,4-dimethyl-N-(2-pyrazol-1-ylphenyl)cycloheptan-1-amine.
What is the SMILES notation for 4,4-dimethyl-N-(2-pyrazol-1-ylphenyl)cycloheptan-1-amine?
The canonical SMILES for 4,4-dimethyl-N-(2-pyrazol-1-ylphenyl)cycloheptan-1-amine is CC1(C)CCCC(Nc2ccccc2-n2cccn2)CC1.
What is the InChIKey of 4,4-dimethyl-N-(2-pyrazol-1-ylphenyl)cycloheptan-1-amine?
The InChIKey is YXKSONBQBKHKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-18(2)11-5-7-15(10-12-18)20-16-8-3-4-9-17(16)21-14-6-13-19-21/h3-4,6,8-9,13-15,20H,5,7,10-12H2,1-2H3.
What are the key properties of 4,4-dimethyl-N-(2-pyrazol-1-ylphenyl)cycloheptan-1-amine?
4,4-dimethyl-N-(2-pyrazol-1-ylphenyl)cycloheptan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-(2-pyrazol-1-ylphenyl)cycloheptan-1-amine is sourced from PubChem (CID 65084094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).