2,4-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine

C18H25N3 — CID 63994271

IUPAC2,4-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine
SMILESCC1CCC(NCc2ccc(-n3cccn3)cc2)C(C)C1
InChIInChI=1S/C18H25N3/c1-14-4-9-18(15(2)12-14)19-13-16-5-7-17(8-6-16)21-11-3-10-20-21/h3,5-8,10-11,14-15,18-19H,4,9,12-13H2,1-2H3
InChIKeySALLYBIRAVPLOK-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.79
Rot. Bonds4

About 2,4-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine

2,4-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine (PubChem CID 63994271) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,4-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine
PubChem CID63994271
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name2,4-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine
SMILESCC1CCC(NCc2ccc(-n3cccn3)cc2)C(C)C1
InChIInChI=1S/C18H25N3/c1-14-4-9-18(15(2)12-14)19-13-16-5-7-17(8-6-16)21-11-3-10-20-21/h3,5-8,10-11,14-15,18-19H,4,9,12-13H2,1-2H3
InChIKeySALLYBIRAVPLOK-UHFFFAOYSA-N
XLogP3.79
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 2,4-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine (CID 63994271) is 2,4-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2,4-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2,4-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine is CC1CCC(NCc2ccc(-n3cccn3)cc2)C(C)C1.
What is the InChIKey of 2,4-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine?
The InChIKey is SALLYBIRAVPLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-14-4-9-18(15(2)12-14)19-13-16-5-7-17(8-6-16)21-11-3-10-20-21/h3,5-8,10-11,14-15,18-19H,4,9,12-13H2,1-2H3.
What are the key properties of 2,4-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine?
2,4-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 63994271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).