N-[(2-chlorophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine

C13H16ClN3 — CID 103909171

IUPACN-[(2-chlorophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine
SMILESCCc1nn(C)cc1NCc1ccccc1Cl
InChIInChI=1S/C13H16ClN3/c1-3-12-13(9-17(2)16-12)15-8-10-6-4-5-7-11(10)14/h4-7,9,15H,3,8H2,1-2H3
InChIKeyGTFYOWKMPVUNMW-UHFFFAOYSA-N
MW249.75 g/mol
LogP3.25
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine

N-[(2-chlorophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine (PubChem CID 103909171) has the molecular formula C13H16ClN3 and a molecular weight of 249.75 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine
PubChem CID103909171
Molecular FormulaC13H16ClN3
Molecular Weight249.75 g/mol
Exact Mass249.10
IUPAC NameN-[(2-chlorophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine
SMILESCCc1nn(C)cc1NCc1ccccc1Cl
InChIInChI=1S/C13H16ClN3/c1-3-12-13(9-17(2)16-12)15-8-10-6-4-5-7-11(10)14/h4-7,9,15H,3,8H2,1-2H3
InChIKeyGTFYOWKMPVUNMW-UHFFFAOYSA-N
XLogP3.25
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.75
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloro-2-fluorophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103909085
3-ethyl-1-methyl-N-[(1-methylindol-3-yl)methyl]pyrazol-4-amine
CID 107462367
N-[(5-chloroquinolin-8-yl)methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103909212
2-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 107463376
N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-3-ethyl-1-methylpyrazol-4-amine
CID 103908992
N-[(2-bromo-4-fluorophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103909034
3-ethyl-1-methyl-N-(1H-pyrrol-3-ylmethyl)pyrazol-4-amine
CID 115897990
3-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107463393
N-(2,2-dimethylpropyl)-3-ethyl-1-methylpyrazol-4-amine
CID 115898031
N-[(2,5-dimethoxyphenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103909000
3-ethyl-1-methyl-N-[(5-phenylthiophen-2-yl)methyl]pyrazol-4-amine
CID 103909020
3-ethyl-1-methyl-N-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-amine
CID 107462626

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine (CID 103909171) is N-[(2-chlorophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine is CCc1nn(C)cc1NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine?
The InChIKey is GTFYOWKMPVUNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-3-12-13(9-17(2)16-12)15-8-10-6-4-5-7-11(10)14/h4-7,9,15H,3,8H2,1-2H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine?
N-[(2-chlorophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine has a molecular weight of 249.75 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine is sourced from PubChem (CID 103909171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).