N-methyl-2-[2-(4-pyrazol-1-ylphenyl)ethyl]aniline

C18H19N3 — CID 145122965

IUPACN-methyl-2-[2-(4-pyrazol-1-ylphenyl)ethyl]aniline
SMILESCNc1ccccc1CCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H19N3/c1-19-18-6-3-2-5-16(18)10-7-15-8-11-17(12-9-15)21-14-4-13-20-21/h2-6,8-9,11-14,19H,7,10H2,1H3
InChIKeyKRPAEBDIGADPNJ-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.70
Rot. Bonds5

About N-methyl-2-[2-(4-pyrazol-1-ylphenyl)ethyl]aniline

N-methyl-2-[2-(4-pyrazol-1-ylphenyl)ethyl]aniline (PubChem CID 145122965) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-methyl-2-[2-(4-pyrazol-1-ylphenyl)ethyl]aniline.

Molecular Properties

Compound NameN-methyl-2-[2-(4-pyrazol-1-ylphenyl)ethyl]aniline
PubChem CID145122965
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC NameN-methyl-2-[2-(4-pyrazol-1-ylphenyl)ethyl]aniline
SMILESCNc1ccccc1CCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H19N3/c1-19-18-6-3-2-5-16(18)10-7-15-8-11-17(12-9-15)21-14-4-13-20-21/h2-6,8-9,11-14,19H,7,10H2,1H3
InChIKeyKRPAEBDIGADPNJ-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[2-(2-methyl-4-pyrazol-1-ylphenyl)ethyl]aniline
CID 155063541
1-[2-(methoxymethyl)phenyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 86989246
N-(2-ethylphenyl)-4-pyrazol-1-ylbenzamide
CID 2992386
N-[(2-chlorophenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 43226678
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
1,2-dimethyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine;hydroiodide
CID 110914587
N-(2,6-diethylphenyl)-2-(4-pyrazol-1-ylphenyl)acetamide
CID 86997630
4-[(4-pyrazol-1-ylphenyl)methyl]quinoline
CID 174923169
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine;hydroiodide
CID 111339674
2-(benzimidazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 42959419
3-(2-ethoxyphenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 32707909

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(4-pyrazol-1-ylphenyl)ethyl]aniline?
The IUPAC name of N-methyl-2-[2-(4-pyrazol-1-ylphenyl)ethyl]aniline (CID 145122965) is N-methyl-2-[2-(4-pyrazol-1-ylphenyl)ethyl]aniline.
What is the SMILES notation for N-methyl-2-[2-(4-pyrazol-1-ylphenyl)ethyl]aniline?
The canonical SMILES for N-methyl-2-[2-(4-pyrazol-1-ylphenyl)ethyl]aniline is CNc1ccccc1CCc1ccc(-n2cccn2)cc1.
What is the InChIKey of N-methyl-2-[2-(4-pyrazol-1-ylphenyl)ethyl]aniline?
The InChIKey is KRPAEBDIGADPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-19-18-6-3-2-5-16(18)10-7-15-8-11-17(12-9-15)21-14-4-13-20-21/h2-6,8-9,11-14,19H,7,10H2,1H3.
What are the key properties of N-methyl-2-[2-(4-pyrazol-1-ylphenyl)ethyl]aniline?
N-methyl-2-[2-(4-pyrazol-1-ylphenyl)ethyl]aniline has a molecular weight of 277.37 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(4-pyrazol-1-ylphenyl)ethyl]aniline is sourced from PubChem (CID 145122965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).