N-[(3-methylphenyl)methyl]-2-pyrazol-1-ylaniline

C17H17N3 — CID 43705696

IUPACN-[(3-methylphenyl)methyl]-2-pyrazol-1-ylaniline
SMILESCc1cccc(CNc2ccccc2-n2cccn2)c1
InChIInChI=1S/C17H17N3/c1-14-6-4-7-15(12-14)13-18-16-8-2-3-9-17(16)20-11-5-10-19-20/h2-12,18H,13H2,1H3
InChIKeyYSLTXBXAVJRBGS-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.79
Rot. Bonds4

About N-[(3-methylphenyl)methyl]-2-pyrazol-1-ylaniline

N-[(3-methylphenyl)methyl]-2-pyrazol-1-ylaniline (PubChem CID 43705696) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-2-pyrazol-1-ylaniline.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-2-pyrazol-1-ylaniline
PubChem CID43705696
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC NameN-[(3-methylphenyl)methyl]-2-pyrazol-1-ylaniline
SMILESCc1cccc(CNc2ccccc2-n2cccn2)c1
InChIInChI=1S/C17H17N3/c1-14-6-4-7-15(12-14)13-18-16-8-2-3-9-17(16)20-11-5-10-19-20/h2-12,18H,13H2,1H3
InChIKeyYSLTXBXAVJRBGS-UHFFFAOYSA-N
XLogP3.79
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[(3-methylphenyl)methyl]-2-pyrazol-1-ylaniline
CID 51890254
N-[(3,4-dimethylphenyl)methyl]-2-pyrazol-1-ylaniline
CID 43784031
N-[(4-fluoro-3-methylphenyl)methyl]-2-pyrazol-1-ylaniline
CID 62122481
N-[(2,4-dimethylphenyl)methyl]-2-pyrazol-1-ylaniline
CID 43705670
N-[(3,4-dichlorophenyl)methyl]-2-pyrazol-1-ylaniline
CID 43705684
2-methyl-6-[(2-pyrazol-1-ylanilino)methyl]phenol
CID 115904144
N-[(3-methylphenyl)methyl]naphthalen-1-amine
CID 23820233
N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-pyrazol-1-ylaniline
CID 55114545
N-[(3-methylphenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 43768777
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyrazol-1-ylaniline
CID 43705914
2-methyl-4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112871781
N-[(4,5-dibromofuran-2-yl)methyl]-2-pyrazol-1-ylaniline
CID 62085905

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-2-pyrazol-1-ylaniline?
The IUPAC name of N-[(3-methylphenyl)methyl]-2-pyrazol-1-ylaniline (CID 43705696) is N-[(3-methylphenyl)methyl]-2-pyrazol-1-ylaniline.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-2-pyrazol-1-ylaniline?
The canonical SMILES for N-[(3-methylphenyl)methyl]-2-pyrazol-1-ylaniline is Cc1cccc(CNc2ccccc2-n2cccn2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-2-pyrazol-1-ylaniline?
The InChIKey is YSLTXBXAVJRBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-14-6-4-7-15(12-14)13-18-16-8-2-3-9-17(16)20-11-5-10-19-20/h2-12,18H,13H2,1H3.
What are the key properties of N-[(3-methylphenyl)methyl]-2-pyrazol-1-ylaniline?
N-[(3-methylphenyl)methyl]-2-pyrazol-1-ylaniline has a molecular weight of 263.34 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-2-pyrazol-1-ylaniline is sourced from PubChem (CID 43705696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).