1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine

C12H14ClN3 — CID 608335

IUPAC1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine
SMILESCc1nn(Cc2ccccc2Cl)c(C)c1N
InChIInChI=1S/C12H14ClN3/c1-8-12(14)9(2)16(15-8)7-10-5-3-4-6-11(10)13/h3-6H,7,14H2,1-2H3
InChIKeyMNUSNANEFYOHHG-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.78
Rot. Bonds2

About 1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine

1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine (PubChem CID 608335) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine
PubChem CID608335
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine
SMILESCc1nn(Cc2ccccc2Cl)c(C)c1N
InChIInChI=1S/C12H14ClN3/c1-8-12(14)9(2)16(15-8)7-10-5-3-4-6-11(10)13/h3-6H,7,14H2,1-2H3
InChIKeyMNUSNANEFYOHHG-UHFFFAOYSA-N
XLogP2.78
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-Dimethyl-1-(phenylmethyl)-1H-pyrazol-4-amine
CID 206697
1-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
CID 846914
1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazole
CID 661809
2-chloro-N-[1-(2,4-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]acetamide
CID 844575
1-((4-Fluorophenyl)methyl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 573307
1-(4-Chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 580838
N-[1-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]cyclopropanecarboxamide
CID 4995823
1-Methyl-5-phenyl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride
CID 162663334
1-(2-chloro-4-fluorobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
CID 973646
1-Methyl-5-phenyl-3-trifluoromethyl-1H-pyrazol-4-ylamine
CID 71041357
2-(2-Chlorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 71813966
1-(2,6-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 1226007

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine (CID 608335) is 1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine is Cc1nn(Cc2ccccc2Cl)c(C)c1N.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine?
The InChIKey is MNUSNANEFYOHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-8-12(14)9(2)16(15-8)7-10-5-3-4-6-11(10)13/h3-6H,7,14H2,1-2H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine?
1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine has a molecular weight of 235.72 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine is sourced from PubChem (CID 608335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).