N-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]cyclopentanamine

C23H27N3O — CID 170995437

IUPACN-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]cyclopentanamine
SMILESCn1cc(-c2cc(CNC3CCCC3)cc(OCc3ccccc3)c2)cn1
InChIInChI=1S/C23H27N3O/c1-26-16-21(15-25-26)20-11-19(14-24-22-9-5-6-10-22)12-23(13-20)27-17-18-7-3-2-4-8-18/h2-4,7-8,11-13,15-16,22,24H,5-6,9-10,14,17H2,1H3
InChIKeyOCLDWEMHZMUYDO-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.70
Rot. Bonds7

About N-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]cyclopentanamine

N-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]cyclopentanamine (PubChem CID 170995437) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]cyclopentanamine
PubChem CID170995437
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC NameN-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]cyclopentanamine
SMILESCn1cc(-c2cc(CNC3CCCC3)cc(OCc3ccccc3)c2)cn1
InChIInChI=1S/C23H27N3O/c1-26-16-21(15-25-26)20-11-19(14-24-22-9-5-6-10-22)12-23(13-20)27-17-18-7-3-2-4-8-18/h2-4,7-8,11-13,15-16,22,24H,5-6,9-10,14,17H2,1H3
InChIKeyOCLDWEMHZMUYDO-UHFFFAOYSA-N
XLogP4.70
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]cyclopentanamine 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-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]ethanamine
CID 170995040
[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methanamine
CID 170995038
2-methoxy-N-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]ethanamine
CID 170995438
N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]cyclopropanamine
CID 54980066
N-[(4-phenylmethoxyphenyl)methyl]cyclooctanamine
CID 4723001
1-methyl-4-phenylmethoxypyrazole
CID 84661432
N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopentanamine
CID 17055072
N-[[6-(3-phenylmethoxyphenyl)-3-pyridinyl]methyl]cyclopropanamine
CID 175646897
N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]cyclohexanamine
CID 35698068
N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]cycloheptanamine
CID 35698685
benzene;N-benzylcyclohexanamine
CID 142622843
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine
CID 4721424

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]cyclopentanamine?
The IUPAC name of N-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]cyclopentanamine (CID 170995437) is N-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]cyclopentanamine?
The canonical SMILES for N-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]cyclopentanamine is Cn1cc(-c2cc(CNC3CCCC3)cc(OCc3ccccc3)c2)cn1.
What is the InChIKey of N-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]cyclopentanamine?
The InChIKey is OCLDWEMHZMUYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-26-16-21(15-25-26)20-11-19(14-24-22-9-5-6-10-22)12-23(13-20)27-17-18-7-3-2-4-8-18/h2-4,7-8,11-13,15-16,22,24H,5-6,9-10,14,17H2,1H3.
What are the key properties of N-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]cyclopentanamine?
N-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]cyclopentanamine has a molecular weight of 361.49 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]cyclopentanamine is sourced from PubChem (CID 170995437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).