N-(3,4-dimethylcyclohexyl)-2-(pyrazol-1-ylmethyl)aniline

C18H25N3 — CID 64732808

IUPACN-(3,4-dimethylcyclohexyl)-2-(pyrazol-1-ylmethyl)aniline
SMILESCC1CCC(Nc2ccccc2Cn2cccn2)CC1C
InChIInChI=1S/C18H25N3/c1-14-8-9-17(12-15(14)2)20-18-7-4-3-6-16(18)13-21-11-5-10-19-21/h3-7,10-11,14-15,17,20H,8-9,12-13H2,1-2H3
InChIKeyGCMURXRBJWFVKE-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.17
Rot. Bonds4

About N-(3,4-dimethylcyclohexyl)-2-(pyrazol-1-ylmethyl)aniline

N-(3,4-dimethylcyclohexyl)-2-(pyrazol-1-ylmethyl)aniline (PubChem CID 64732808) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)-2-(pyrazol-1-ylmethyl)aniline.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)-2-(pyrazol-1-ylmethyl)aniline
PubChem CID64732808
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-(3,4-dimethylcyclohexyl)-2-(pyrazol-1-ylmethyl)aniline
SMILESCC1CCC(Nc2ccccc2Cn2cccn2)CC1C
InChIInChI=1S/C18H25N3/c1-14-8-9-17(12-15(14)2)20-18-7-4-3-6-16(18)13-21-11-5-10-19-21/h3-7,10-11,14-15,17,20H,8-9,12-13H2,1-2H3
InChIKeyGCMURXRBJWFVKE-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylcyclohexyl)-2-(pyrazol-1-ylmethyl)aniline?
The IUPAC name of N-(3,4-dimethylcyclohexyl)-2-(pyrazol-1-ylmethyl)aniline (CID 64732808) is N-(3,4-dimethylcyclohexyl)-2-(pyrazol-1-ylmethyl)aniline.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)-2-(pyrazol-1-ylmethyl)aniline?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)-2-(pyrazol-1-ylmethyl)aniline is CC1CCC(Nc2ccccc2Cn2cccn2)CC1C.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)-2-(pyrazol-1-ylmethyl)aniline?
The InChIKey is GCMURXRBJWFVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-14-8-9-17(12-15(14)2)20-18-7-4-3-6-16(18)13-21-11-5-10-19-21/h3-7,10-11,14-15,17,20H,8-9,12-13H2,1-2H3.
What are the key properties of N-(3,4-dimethylcyclohexyl)-2-(pyrazol-1-ylmethyl)aniline?
N-(3,4-dimethylcyclohexyl)-2-(pyrazol-1-ylmethyl)aniline has a molecular weight of 283.42 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylcyclohexyl)-2-(pyrazol-1-ylmethyl)aniline is sourced from PubChem (CID 64732808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).