N-(3-methoxycyclohexyl)-3-(pyrazol-1-ylmethyl)aniline

C17H23N3O — CID 106871884

IUPACN-(3-methoxycyclohexyl)-3-(pyrazol-1-ylmethyl)aniline
SMILESCOC1CCCC(Nc2cccc(Cn3cccn3)c2)C1
InChIInChI=1S/C17H23N3O/c1-21-17-8-3-7-16(12-17)19-15-6-2-5-14(11-15)13-20-10-4-9-18-20/h2,4-6,9-11,16-17,19H,3,7-8,12-13H2,1H3
InChIKeyUYQYBLBJWLEVDK-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.30
Rot. Bonds5

About N-(3-methoxycyclohexyl)-3-(pyrazol-1-ylmethyl)aniline

N-(3-methoxycyclohexyl)-3-(pyrazol-1-ylmethyl)aniline (PubChem CID 106871884) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(3-methoxycyclohexyl)-3-(pyrazol-1-ylmethyl)aniline.

Molecular Properties

Compound NameN-(3-methoxycyclohexyl)-3-(pyrazol-1-ylmethyl)aniline
PubChem CID106871884
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-(3-methoxycyclohexyl)-3-(pyrazol-1-ylmethyl)aniline
SMILESCOC1CCCC(Nc2cccc(Cn3cccn3)c2)C1
InChIInChI=1S/C17H23N3O/c1-21-17-8-3-7-16(12-17)19-15-6-2-5-14(11-15)13-20-10-4-9-18-20/h2,4-6,9-11,16-17,19H,3,7-8,12-13H2,1H3
InChIKeyUYQYBLBJWLEVDK-UHFFFAOYSA-N
XLogP3.30
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylcyclohexyl)-3-(pyrazol-1-ylmethyl)aniline
CID 64761861
3-[(3-methoxycyclohexyl)amino]-N-propylbenzamide
CID 106871637
N-(3-methoxycyclobutyl)-3-(methoxymethyl)aniline
CID 104870383
N-[[(2S,4R)-2-methyloxan-4-yl]methyl]-3-(pyrazol-1-ylmethyl)aniline
CID 97340717
N-(oxolan-3-ylmethyl)-3-(pyrazol-1-ylmethyl)aniline
CID 43738881
(3S)-1-ethyl-3-[3-(pyrazol-1-ylmethyl)anilino]pyrrolidine-2,5-dione
CID 98419532
N-cyclohexyl-3-ethylaniline
CID 11009024
N-heptyl-3-(pyrazol-1-ylmethyl)aniline
CID 43738861
N-(3-methoxycyclohexyl)-2-pyrazol-1-ylaniline
CID 106871747
N-[4-(pyrazol-1-ylmethyl)phenyl]oxepan-4-amine
CID 65081807
N-(3-methylcyclobutyl)-4-(pyrazol-1-ylmethyl)aniline
CID 104861739
1-[[4-(cyclobutyloxymethyl)phenyl]methyl]pyrazole
CID 141170968

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxycyclohexyl)-3-(pyrazol-1-ylmethyl)aniline?
The IUPAC name of N-(3-methoxycyclohexyl)-3-(pyrazol-1-ylmethyl)aniline (CID 106871884) is N-(3-methoxycyclohexyl)-3-(pyrazol-1-ylmethyl)aniline.
What is the SMILES notation for N-(3-methoxycyclohexyl)-3-(pyrazol-1-ylmethyl)aniline?
The canonical SMILES for N-(3-methoxycyclohexyl)-3-(pyrazol-1-ylmethyl)aniline is COC1CCCC(Nc2cccc(Cn3cccn3)c2)C1.
What is the InChIKey of N-(3-methoxycyclohexyl)-3-(pyrazol-1-ylmethyl)aniline?
The InChIKey is UYQYBLBJWLEVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-21-17-8-3-7-16(12-17)19-15-6-2-5-14(11-15)13-20-10-4-9-18-20/h2,4-6,9-11,16-17,19H,3,7-8,12-13H2,1H3.
What are the key properties of N-(3-methoxycyclohexyl)-3-(pyrazol-1-ylmethyl)aniline?
N-(3-methoxycyclohexyl)-3-(pyrazol-1-ylmethyl)aniline has a molecular weight of 285.39 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclohexyl)-3-(pyrazol-1-ylmethyl)aniline is sourced from PubChem (CID 106871884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).