N-[1-(2-methylphenyl)ethyl]-3-(1H-pyrazol-5-yl)aniline

C18H19N3 — CID 43745402

IUPACN-[1-(2-methylphenyl)ethyl]-3-(1H-pyrazol-5-yl)aniline
SMILESCc1ccccc1C(C)Nc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C18H19N3/c1-13-6-3-4-9-17(13)14(2)20-16-8-5-7-15(12-16)18-10-11-19-21-18/h3-12,14,20H,1-2H3,(H,19,21)
InChIKeyUAAXPKAXDGXNRP-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.56
Rot. Bonds4

About N-[1-(2-methylphenyl)ethyl]-3-(1H-pyrazol-5-yl)aniline

N-[1-(2-methylphenyl)ethyl]-3-(1H-pyrazol-5-yl)aniline (PubChem CID 43745402) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[1-(2-methylphenyl)ethyl]-3-(1H-pyrazol-5-yl)aniline.

Molecular Properties

Compound NameN-[1-(2-methylphenyl)ethyl]-3-(1H-pyrazol-5-yl)aniline
PubChem CID43745402
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC NameN-[1-(2-methylphenyl)ethyl]-3-(1H-pyrazol-5-yl)aniline
SMILESCc1ccccc1C(C)Nc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C18H19N3/c1-13-6-3-4-9-17(13)14(2)20-16-8-5-7-15(12-16)18-10-11-19-21-18/h3-12,14,20H,1-2H3,(H,19,21)
InChIKeyUAAXPKAXDGXNRP-UHFFFAOYSA-N
XLogP4.56
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[1-(2-methylphenyl)ethyl]-3-(1H-pyrazol-5-yl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3-methylthiophen-2-yl)ethyl]-3-(1H-pyrazol-5-yl)aniline
CID 63991077
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1H-pyrazol-5-yl)aniline
CID 43745436
N-tert-butyl-3-(1H-pyrazol-5-yl)aniline
CID 58709859
N-heptan-2-yl-3-(1H-pyrazol-5-yl)aniline
CID 43745296
N-(2-methylpropyl)-3-(1H-pyrazol-5-yl)aniline
CID 43745359
N-heptan-3-yl-3-(1H-pyrazol-5-yl)aniline
CID 63945913
N-nonan-2-yl-3-(1H-pyrazol-5-yl)aniline
CID 43745382
N-[3-[1-(2-methylphenyl)ethylamino]phenyl]acetamide
CID 43193741
N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]-3-(1H-pyrazol-5-yl)aniline
CID 124600539
N-[4-(furan-2-yl)butan-2-yl]-3-(1H-pyrazol-5-yl)aniline
CID 43745442
N'-tert-butyl-N-[3-(1H-pyrazol-5-yl)phenyl]ethane-1,2-diamine
CID 107445250
5-(3-propan-2-ylphenyl)-1H-pyrazole
CID 58101929

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylphenyl)ethyl]-3-(1H-pyrazol-5-yl)aniline?
The IUPAC name of N-[1-(2-methylphenyl)ethyl]-3-(1H-pyrazol-5-yl)aniline (CID 43745402) is N-[1-(2-methylphenyl)ethyl]-3-(1H-pyrazol-5-yl)aniline.
What is the SMILES notation for N-[1-(2-methylphenyl)ethyl]-3-(1H-pyrazol-5-yl)aniline?
The canonical SMILES for N-[1-(2-methylphenyl)ethyl]-3-(1H-pyrazol-5-yl)aniline is Cc1ccccc1C(C)Nc1cccc(-c2ccn[nH]2)c1.
What is the InChIKey of N-[1-(2-methylphenyl)ethyl]-3-(1H-pyrazol-5-yl)aniline?
The InChIKey is UAAXPKAXDGXNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-13-6-3-4-9-17(13)14(2)20-16-8-5-7-15(12-16)18-10-11-19-21-18/h3-12,14,20H,1-2H3,(H,19,21).
What are the key properties of N-[1-(2-methylphenyl)ethyl]-3-(1H-pyrazol-5-yl)aniline?
N-[1-(2-methylphenyl)ethyl]-3-(1H-pyrazol-5-yl)aniline has a molecular weight of 277.37 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylphenyl)ethyl]-3-(1H-pyrazol-5-yl)aniline is sourced from PubChem (CID 43745402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).