N-[(2-chlorophenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine

C17H16ClN3 — CID 43226678

IUPACN-[(2-chlorophenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
SMILESClc1ccccc1CNCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C17H16ClN3/c18-17-5-2-1-4-15(17)13-19-12-14-6-8-16(9-7-14)21-11-3-10-20-21/h1-11,19H,12-13H2
InChIKeyDYWJHISBVRCPRE-UHFFFAOYSA-N
MW297.79 g/mol
LogP3.82
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine

N-[(2-chlorophenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine (PubChem CID 43226678) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
PubChem CID43226678
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC NameN-[(2-chlorophenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
SMILESClc1ccccc1CNCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C17H16ClN3/c18-17-5-2-1-4-15(17)13-19-12-14-6-8-16(9-7-14)21-11-3-10-20-21/h1-11,19H,12-13H2
InChIKeyDYWJHISBVRCPRE-UHFFFAOYSA-N
XLogP3.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromophenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 61402147
2-(2-chlorophenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 30525810
N-[(2-chlorophenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 6459303
3,3-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]butan-1-amine
CID 115581160
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 28766485
N-[(3-methylphenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 43768777
6-[(4-pyrazol-1-ylphenyl)methylamino]hexan-1-ol
CID 103924243
N-[(2-pyrazol-1-ylphenyl)methyl]-1-pyridin-4-ylmethanamine
CID 61165719
4-chloro-N-[(4-pyrazol-1-ylphenyl)methyl]pyridin-3-amine
CID 83167286
1-phenyl-3-[(4-pyrazol-1-ylphenyl)methylamino]propan-2-ol
CID 111104760
N-[(5-bromothiophen-2-yl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 61012027
2-[(4-pyrazol-1-ylphenyl)methylamino]propane-1,3-diol
CID 65310420

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine (CID 43226678) is N-[(2-chlorophenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine is Clc1ccccc1CNCc1ccc(-n2cccn2)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine?
The InChIKey is DYWJHISBVRCPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c18-17-5-2-1-4-15(17)13-19-12-14-6-8-16(9-7-14)21-11-3-10-20-21/h1-11,19H,12-13H2.
What are the key properties of N-[(2-chlorophenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine?
N-[(2-chlorophenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine has a molecular weight of 297.79 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine is sourced from PubChem (CID 43226678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).