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

C18H25N3 — CID 64761861

IUPACN-(2,4-dimethylcyclohexyl)-3-(pyrazol-1-ylmethyl)aniline
SMILESCC1CCC(Nc2cccc(Cn3cccn3)c2)C(C)C1
InChIInChI=1S/C18H25N3/c1-14-7-8-18(15(2)11-14)20-17-6-3-5-16(12-17)13-21-10-4-9-19-21/h3-6,9-10,12,14-15,18,20H,7-8,11,13H2,1-2H3
InChIKeyDAVQJQOVLJYHCU-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.17
Rot. Bonds4

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

N-(2,4-dimethylcyclohexyl)-3-(pyrazol-1-ylmethyl)aniline (PubChem CID 64761861) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-(2,4-dimethylcyclohexyl)-3-(pyrazol-1-ylmethyl)aniline.

Molecular Properties

Compound NameN-(2,4-dimethylcyclohexyl)-3-(pyrazol-1-ylmethyl)aniline
PubChem CID64761861
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-(2,4-dimethylcyclohexyl)-3-(pyrazol-1-ylmethyl)aniline
SMILESCC1CCC(Nc2cccc(Cn3cccn3)c2)C(C)C1
InChIInChI=1S/C18H25N3/c1-14-7-8-18(15(2)11-14)20-17-6-3-5-16(12-17)13-21-10-4-9-19-21/h3-6,9-10,12,14-15,18,20H,7-8,11,13H2,1-2H3
InChIKeyDAVQJQOVLJYHCU-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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Related Compounds

N-[(1R,2R,4R)-2,4-dimethylcyclohexyl]-3-(methylsulfonylmethyl)aniline
CID 129374172
N-(3-methoxycyclohexyl)-3-(pyrazol-1-ylmethyl)aniline
CID 106871884
3-ethyl-N-(2-methylcyclobutyl)aniline
CID 126973402
N-[[(2S,4R)-2-methyloxan-4-yl]methyl]-3-(pyrazol-1-ylmethyl)aniline
CID 97340717
N-[3-[(2,4-dimethylcyclohexyl)amino]phenyl]methanesulfonamide
CID 64776794
(3S)-1-ethyl-3-[3-(pyrazol-1-ylmethyl)anilino]pyrrolidine-2,5-dione
CID 98419532
N-heptyl-3-(pyrazol-1-ylmethyl)aniline
CID 43738861
N-(3-methylcyclobutyl)-4-(pyrazol-1-ylmethyl)aniline
CID 104861739
3-[(2,4-dimethylcyclohexyl)amino]benzonitrile
CID 64776776
2,4-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)cyclohexan-1-amine
CID 64761671
N-[4-(pyrazol-1-ylmethyl)phenyl]bicyclo[2.2.1]heptan-2-amine
CID 61308815
N-[3-(pyrazol-1-ylmethyl)phenyl]butane-1-sulfonamide
CID 22205844

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylcyclohexyl)-3-(pyrazol-1-ylmethyl)aniline?
The IUPAC name of N-(2,4-dimethylcyclohexyl)-3-(pyrazol-1-ylmethyl)aniline (CID 64761861) is N-(2,4-dimethylcyclohexyl)-3-(pyrazol-1-ylmethyl)aniline.
What is the SMILES notation for N-(2,4-dimethylcyclohexyl)-3-(pyrazol-1-ylmethyl)aniline?
The canonical SMILES for N-(2,4-dimethylcyclohexyl)-3-(pyrazol-1-ylmethyl)aniline is CC1CCC(Nc2cccc(Cn3cccn3)c2)C(C)C1.
What is the InChIKey of N-(2,4-dimethylcyclohexyl)-3-(pyrazol-1-ylmethyl)aniline?
The InChIKey is DAVQJQOVLJYHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-14-7-8-18(15(2)11-14)20-17-6-3-5-16(12-17)13-21-10-4-9-19-21/h3-6,9-10,12,14-15,18,20H,7-8,11,13H2,1-2H3.
What are the key properties of N-(2,4-dimethylcyclohexyl)-3-(pyrazol-1-ylmethyl)aniline?
N-(2,4-dimethylcyclohexyl)-3-(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-(2,4-dimethylcyclohexyl)-3-(pyrazol-1-ylmethyl)aniline is sourced from PubChem (CID 64761861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).