N-[(3-methylphenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine

C18H19N3 — CID 43768777

IUPACN-[(3-methylphenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
SMILESCc1cccc(CNCc2ccc(-n3cccn3)cc2)c1
InChIInChI=1S/C18H19N3/c1-15-4-2-5-17(12-15)14-19-13-16-6-8-18(9-7-16)21-11-3-10-20-21/h2-12,19H,13-14H2,1H3
InChIKeyWKKRDMPJUCSFTI-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.47
Rot. Bonds5

About N-[(3-methylphenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine

N-[(3-methylphenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine (PubChem CID 43768777) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
PubChem CID43768777
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC NameN-[(3-methylphenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
SMILESCc1cccc(CNCc2ccc(-n3cccn3)cc2)c1
InChIInChI=1S/C18H19N3/c1-15-4-2-5-17(12-15)14-19-13-16-6-8-18(9-7-16)21-11-3-10-20-21/h2-12,19H,13-14H2,1H3
InChIKeyWKKRDMPJUCSFTI-UHFFFAOYSA-N
XLogP3.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
CID 28663771
2-fluoro-4-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
CID 43230038
3,3-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]butan-1-amine
CID 115581160
N-[(3-methylphenyl)methyl]-2-pyrazol-1-ylaniline
CID 43705696
1-[4-(chloromethyl)phenyl]-N-[(3-methylphenyl)methyl]methanamine
CID 107233003
N-[(2-bromophenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 61402147
N-[(2-chlorophenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 43226678
5-chloro-N-[(3-methylphenyl)methyl]-2-pyrazol-1-ylaniline
CID 51890254
N-[(1-ethylimidazol-2-yl)methyl]-1-(3-methylphenyl)methanamine
CID 62357739
N-[(3-methylphenyl)methyl]-1-quinoxalin-6-ylmethanamine
CID 46344501
N-propan-2-yl-2-[(4-pyrazol-1-ylphenyl)methylamino]acetamide
CID 43232183
2-methyl-1-[(4-methylphenyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 111244557

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine?
The IUPAC name of N-[(3-methylphenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine (CID 43768777) is N-[(3-methylphenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine?
The canonical SMILES for N-[(3-methylphenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine is Cc1cccc(CNCc2ccc(-n3cccn3)cc2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine?
The InChIKey is WKKRDMPJUCSFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-15-4-2-5-17(12-15)14-19-13-16-6-8-18(9-7-16)21-11-3-10-20-21/h2-12,19H,13-14H2,1H3.
What are the key properties of N-[(3-methylphenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine?
N-[(3-methylphenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine has a molecular weight of 277.37 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine is sourced from PubChem (CID 43768777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).