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

C19H21N3 — CID 155063541

IUPACN-methyl-2-[2-(2-methyl-4-pyrazol-1-ylphenyl)ethyl]aniline
SMILESCNc1ccccc1CCc1ccc(-n2cccn2)cc1C
InChIInChI=1S/C19H21N3/c1-15-14-18(22-13-5-12-21-22)11-10-16(15)8-9-17-6-3-4-7-19(17)20-2/h3-7,10-14,20H,8-9H2,1-2H3
InChIKeyBCBRSPVPNGPWBX-UHFFFAOYSA-N
MW291.40 g/mol
LogP4.01
Rot. Bonds5

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

N-methyl-2-[2-(2-methyl-4-pyrazol-1-ylphenyl)ethyl]aniline (PubChem CID 155063541) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-methyl-2-[2-(2-methyl-4-pyrazol-1-ylphenyl)ethyl]aniline.

Molecular Properties

Compound NameN-methyl-2-[2-(2-methyl-4-pyrazol-1-ylphenyl)ethyl]aniline
PubChem CID155063541
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC NameN-methyl-2-[2-(2-methyl-4-pyrazol-1-ylphenyl)ethyl]aniline
SMILESCNc1ccccc1CCc1ccc(-n2cccn2)cc1C
InChIInChI=1S/C19H21N3/c1-15-14-18(22-13-5-12-21-22)11-10-16(15)8-9-17-6-3-4-7-19(17)20-2/h3-7,10-14,20H,8-9H2,1-2H3
InChIKeyBCBRSPVPNGPWBX-UHFFFAOYSA-N
XLogP4.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[2-(4-pyrazol-1-ylphenyl)ethyl]aniline
CID 145122965
1-(3-benzyl-4-methylphenyl)pyrazole
CID 58508496
N-[(2,6-dimethyl-3-pyridinyl)methyl]-2-methyl-4-pyrazol-1-ylaniline
CID 119045900
2-cyclopropyl-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]propanamide
CID 136572601
ethane;(2-methyl-5-pyrazol-1-ylphenyl)methanol
CID 143966234
N-[(2,4-dimethylphenyl)methyl]-2-pyrazol-1-ylaniline
CID 43705670
N-[(4-fluoro-2-methylphenyl)methyl]-4-pyrazol-1-ylaniline
CID 62134405
1-(3-chloro-4-ethylphenyl)pyrazole
CID 70883363
2-(2-methoxy-4-pyrazol-1-ylphenyl)acetonitrile
CID 59343517
4-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-1-phenylpiperazin-2-one
CID 70775532
N-[(4-fluoro-2-methylphenyl)methyl]-3-pyrazol-1-ylaniline
CID 62134761
N-(2-ethylphenyl)-4-pyrazol-1-ylbenzamide
CID 2992386

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(2-methyl-4-pyrazol-1-ylphenyl)ethyl]aniline?
The IUPAC name of N-methyl-2-[2-(2-methyl-4-pyrazol-1-ylphenyl)ethyl]aniline (CID 155063541) is N-methyl-2-[2-(2-methyl-4-pyrazol-1-ylphenyl)ethyl]aniline.
What is the SMILES notation for N-methyl-2-[2-(2-methyl-4-pyrazol-1-ylphenyl)ethyl]aniline?
The canonical SMILES for N-methyl-2-[2-(2-methyl-4-pyrazol-1-ylphenyl)ethyl]aniline is CNc1ccccc1CCc1ccc(-n2cccn2)cc1C.
What is the InChIKey of N-methyl-2-[2-(2-methyl-4-pyrazol-1-ylphenyl)ethyl]aniline?
The InChIKey is BCBRSPVPNGPWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3/c1-15-14-18(22-13-5-12-21-22)11-10-16(15)8-9-17-6-3-4-7-19(17)20-2/h3-7,10-14,20H,8-9H2,1-2H3.
What are the key properties of N-methyl-2-[2-(2-methyl-4-pyrazol-1-ylphenyl)ethyl]aniline?
N-methyl-2-[2-(2-methyl-4-pyrazol-1-ylphenyl)ethyl]aniline has a molecular weight of 291.40 g/mol, XLogP of 4.01, 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-(2-methyl-4-pyrazol-1-ylphenyl)ethyl]aniline is sourced from PubChem (CID 155063541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).