N-[(2-chloro-4-methylphenyl)methyl]-1,3-dimethylpyrazol-4-amine

C13H16ClN3 — CID 106863330

IUPACN-[(2-chloro-4-methylphenyl)methyl]-1,3-dimethylpyrazol-4-amine
SMILESCc1ccc(CNc2cn(C)nc2C)c(Cl)c1
InChIInChI=1S/C13H16ClN3/c1-9-4-5-11(12(14)6-9)7-15-13-8-17(3)16-10(13)2/h4-6,8,15H,7H2,1-3H3
InChIKeyATSGFOMGEIGZLZ-UHFFFAOYSA-N
MW249.75 g/mol
LogP3.30
Rot. Bonds3

About N-[(2-chloro-4-methylphenyl)methyl]-1,3-dimethylpyrazol-4-amine

N-[(2-chloro-4-methylphenyl)methyl]-1,3-dimethylpyrazol-4-amine (PubChem CID 106863330) has the molecular formula C13H16ClN3 and a molecular weight of 249.75 g/mol. Its IUPAC name is N-[(2-chloro-4-methylphenyl)methyl]-1,3-dimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(2-chloro-4-methylphenyl)methyl]-1,3-dimethylpyrazol-4-amine
PubChem CID106863330
Molecular FormulaC13H16ClN3
Molecular Weight249.75 g/mol
Exact Mass249.10
IUPAC NameN-[(2-chloro-4-methylphenyl)methyl]-1,3-dimethylpyrazol-4-amine
SMILESCc1ccc(CNc2cn(C)nc2C)c(Cl)c1
InChIInChI=1S/C13H16ClN3/c1-9-4-5-11(12(14)6-9)7-15-13-8-17(3)16-10(13)2/h4-6,8,15H,7H2,1-3H3
InChIKeyATSGFOMGEIGZLZ-UHFFFAOYSA-N
XLogP3.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.75
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]benzene-1,3-diol
CID 19627588
N-[(2,3-dimethylphenyl)methyl]-1,3-dimethylpyrazol-4-amine
CID 103866854
2-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylpyridin-3-amine
CID 114050786
N-[(3,4-dibromophenyl)methyl]-1,3-dimethylpyrazol-4-amine
CID 104954421
1-(2,4-dichlorophenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanamine
CID 112705196
2-(2-chloro-4-methylphenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanol
CID 106866587
N-[(2-chloro-4-methylphenyl)methyl]-2-iodoaniline
CID 106862253
N-[(2-chloro-4-methylphenyl)methyl]-2-fluoroaniline
CID 106862168
4-chloro-3-[(2-chloro-4-methylphenyl)methylamino]benzonitrile
CID 106862898
6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxin-7-amine
CID 82995174
N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-dimethylpyrazol-4-amine
CID 104954500
N-[(2,4-dichlorophenyl)methyl]-2,4-dimethylaniline
CID 13339997

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-methylphenyl)methyl]-1,3-dimethylpyrazol-4-amine?
The IUPAC name of N-[(2-chloro-4-methylphenyl)methyl]-1,3-dimethylpyrazol-4-amine (CID 106863330) is N-[(2-chloro-4-methylphenyl)methyl]-1,3-dimethylpyrazol-4-amine.
What is the SMILES notation for N-[(2-chloro-4-methylphenyl)methyl]-1,3-dimethylpyrazol-4-amine?
The canonical SMILES for N-[(2-chloro-4-methylphenyl)methyl]-1,3-dimethylpyrazol-4-amine is Cc1ccc(CNc2cn(C)nc2C)c(Cl)c1.
What is the InChIKey of N-[(2-chloro-4-methylphenyl)methyl]-1,3-dimethylpyrazol-4-amine?
The InChIKey is ATSGFOMGEIGZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-9-4-5-11(12(14)6-9)7-15-13-8-17(3)16-10(13)2/h4-6,8,15H,7H2,1-3H3.
What are the key properties of N-[(2-chloro-4-methylphenyl)methyl]-1,3-dimethylpyrazol-4-amine?
N-[(2-chloro-4-methylphenyl)methyl]-1,3-dimethylpyrazol-4-amine has a molecular weight of 249.75 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-methylphenyl)methyl]-1,3-dimethylpyrazol-4-amine is sourced from PubChem (CID 106863330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).