N-(3-methoxycyclohexyl)-2-pyrazol-1-ylaniline

C16H21N3O — CID 106871747

IUPACN-(3-methoxycyclohexyl)-2-pyrazol-1-ylaniline
SMILESCOC1CCCC(Nc2ccccc2-n2cccn2)C1
InChIInChI=1S/C16H21N3O/c1-20-14-7-4-6-13(12-14)18-15-8-2-3-9-16(15)19-11-5-10-17-19/h2-3,5,8-11,13-14,18H,4,6-7,12H2,1H3
InChIKeySNMMSOPCPSJCHC-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.24
Rot. Bonds4

About N-(3-methoxycyclohexyl)-2-pyrazol-1-ylaniline

N-(3-methoxycyclohexyl)-2-pyrazol-1-ylaniline (PubChem CID 106871747) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(3-methoxycyclohexyl)-2-pyrazol-1-ylaniline.

Molecular Properties

Compound NameN-(3-methoxycyclohexyl)-2-pyrazol-1-ylaniline
PubChem CID106871747
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(3-methoxycyclohexyl)-2-pyrazol-1-ylaniline
SMILESCOC1CCCC(Nc2ccccc2-n2cccn2)C1
InChIInChI=1S/C16H21N3O/c1-20-14-7-4-6-13(12-14)18-15-8-2-3-9-16(15)19-11-5-10-17-19/h2-3,5,8-11,13-14,18H,4,6-7,12H2,1H3
InChIKeySNMMSOPCPSJCHC-UHFFFAOYSA-N
XLogP3.24
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-methoxycyclohexyl)-2-pyrazol-1-ylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxycyclohexyl)-2-pyrazol-1-ylaniline?
The IUPAC name of N-(3-methoxycyclohexyl)-2-pyrazol-1-ylaniline (CID 106871747) is N-(3-methoxycyclohexyl)-2-pyrazol-1-ylaniline.
What is the SMILES notation for N-(3-methoxycyclohexyl)-2-pyrazol-1-ylaniline?
The canonical SMILES for N-(3-methoxycyclohexyl)-2-pyrazol-1-ylaniline is COC1CCCC(Nc2ccccc2-n2cccn2)C1.
What is the InChIKey of N-(3-methoxycyclohexyl)-2-pyrazol-1-ylaniline?
The InChIKey is SNMMSOPCPSJCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-20-14-7-4-6-13(12-14)18-15-8-2-3-9-16(15)19-11-5-10-17-19/h2-3,5,8-11,13-14,18H,4,6-7,12H2,1H3.
What are the key properties of N-(3-methoxycyclohexyl)-2-pyrazol-1-ylaniline?
N-(3-methoxycyclohexyl)-2-pyrazol-1-ylaniline has a molecular weight of 271.36 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclohexyl)-2-pyrazol-1-ylaniline is sourced from PubChem (CID 106871747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).