N-[[4-methoxy-3-(1H-pyrazol-4-yl)phenyl]methyl]cyclohexanamine

C17H23N3O — CID 39756596

IUPACN-[[4-methoxy-3-(1H-pyrazol-4-yl)phenyl]methyl]cyclohexanamine
SMILESCOc1ccc(CNC2CCCCC2)cc1-c1cn[nH]c1
InChIInChI=1S/C17H23N3O/c1-21-17-8-7-13(9-16(17)14-11-19-20-12-14)10-18-15-5-3-2-4-6-15/h7-9,11-12,15,18H,2-6,10H2,1H3,(H,19,20)
InChIKeyJFJKDWOWYWTDHO-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.51
Rot. Bonds5

About N-[[4-methoxy-3-(1H-pyrazol-4-yl)phenyl]methyl]cyclohexanamine

N-[[4-methoxy-3-(1H-pyrazol-4-yl)phenyl]methyl]cyclohexanamine (PubChem CID 39756596) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[[4-methoxy-3-(1H-pyrazol-4-yl)phenyl]methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[[4-methoxy-3-(1H-pyrazol-4-yl)phenyl]methyl]cyclohexanamine
PubChem CID39756596
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[[4-methoxy-3-(1H-pyrazol-4-yl)phenyl]methyl]cyclohexanamine
SMILESCOc1ccc(CNC2CCCCC2)cc1-c1cn[nH]c1
InChIInChI=1S/C17H23N3O/c1-21-17-8-7-13(9-16(17)14-11-19-20-12-14)10-18-15-5-3-2-4-6-15/h7-9,11-12,15,18H,2-6,10H2,1H3,(H,19,20)
InChIKeyJFJKDWOWYWTDHO-UHFFFAOYSA-N
XLogP3.51
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[4-methoxy-3-(1H-pyrazol-4-yl)phenyl]methyl]cyclohexanamine with MolForge

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

Launch Full Analysis

Related Compounds

N-[(4-chloro-3-methoxyphenyl)methyl]cyclooctanamine
CID 21435425
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]cycloheptanamine
CID 4721038
N-[(4-bromo-3-methoxyphenyl)methyl]cyclobutanamine
CID 117219999
N-[[4-(cyclopentylmethoxy)-3-methoxyphenyl]methyl]cyclopropanamine
CID 61344979
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclohexanamine
CID 4722533
N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine
CID 4719319
N-[(4-methoxyphenyl)methyl]cycloheptanamine
CID 784052
4-[(cyclohexylamino)methyl]-2,6-dimethoxyphenol
CID 28609983
1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,3-diamine
CID 79458725
N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]cyclopropanamine
CID 60881685
N-[(3,4-dimethoxyphenyl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 65082764
4-[(cyclopentylamino)methyl]-2-methoxybenzoic acid
CID 117220016

Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-3-(1H-pyrazol-4-yl)phenyl]methyl]cyclohexanamine?
The IUPAC name of N-[[4-methoxy-3-(1H-pyrazol-4-yl)phenyl]methyl]cyclohexanamine (CID 39756596) is N-[[4-methoxy-3-(1H-pyrazol-4-yl)phenyl]methyl]cyclohexanamine.
What is the SMILES notation for N-[[4-methoxy-3-(1H-pyrazol-4-yl)phenyl]methyl]cyclohexanamine?
The canonical SMILES for N-[[4-methoxy-3-(1H-pyrazol-4-yl)phenyl]methyl]cyclohexanamine is COc1ccc(CNC2CCCCC2)cc1-c1cn[nH]c1.
What is the InChIKey of N-[[4-methoxy-3-(1H-pyrazol-4-yl)phenyl]methyl]cyclohexanamine?
The InChIKey is JFJKDWOWYWTDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-21-17-8-7-13(9-16(17)14-11-19-20-12-14)10-18-15-5-3-2-4-6-15/h7-9,11-12,15,18H,2-6,10H2,1H3,(H,19,20).
What are the key properties of N-[[4-methoxy-3-(1H-pyrazol-4-yl)phenyl]methyl]cyclohexanamine?
N-[[4-methoxy-3-(1H-pyrazol-4-yl)phenyl]methyl]cyclohexanamine has a molecular weight of 285.39 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-3-(1H-pyrazol-4-yl)phenyl]methyl]cyclohexanamine is sourced from PubChem (CID 39756596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).