N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methylaniline

C14H19N3 — CID 19626104

IUPACN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methylaniline
SMILESCCn1cc(CNc2ccccc2C)c(C)n1
InChIInChI=1S/C14H19N3/c1-4-17-10-13(12(3)16-17)9-15-14-8-6-5-7-11(14)2/h5-8,10,15H,4,9H2,1-3H3
InChIKeyZATGKBZCQAVVDT-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.13
Rot. Bonds4

About N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methylaniline

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methylaniline (PubChem CID 19626104) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methylaniline.

Molecular Properties

Compound NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methylaniline
PubChem CID19626104
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methylaniline
SMILESCCn1cc(CNc2ccccc2C)c(C)n1
InChIInChI=1S/C14H19N3/c1-4-17-10-13(12(3)16-17)9-15-14-8-6-5-7-11(14)2/h5-8,10,15H,4,9H2,1-3H3
InChIKeyZATGKBZCQAVVDT-UHFFFAOYSA-N
XLogP3.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methylaniline 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-ethyl-3-methylpyrazol-4-yl)methyl]aniline
CID 19614682
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-methyl-1-propylpyrazol-4-amine
CID 122167189
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine
CID 122167187
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 126963926
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2,4-dimethoxyaniline
CID 19619118
N-benzyl-1-ethyl-3-methylpyrazol-4-amine;hydrochloride
CID 126964772
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiourea
CID 19324958
3-methyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine
CID 122167638
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,4-dimethylpyrazol-5-amine;hydrochloride
CID 126965497
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-naphthalen-1-ylurea
CID 4176167
2-[[(1-ethyl-3-methylpyrazol-4-yl)amino]methyl]benzoic acid;hydrochloride
CID 126966296
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluoro-3-methylaniline
CID 113351725

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methylaniline?
The IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methylaniline (CID 19626104) is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methylaniline.
What is the SMILES notation for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methylaniline?
The canonical SMILES for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methylaniline is CCn1cc(CNc2ccccc2C)c(C)n1.
What is the InChIKey of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methylaniline?
The InChIKey is ZATGKBZCQAVVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-4-17-10-13(12(3)16-17)9-15-14-8-6-5-7-11(14)2/h5-8,10,15H,4,9H2,1-3H3.
What are the key properties of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methylaniline?
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methylaniline has a molecular weight of 229.33 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methylaniline is sourced from PubChem (CID 19626104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).