2-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-amine

C11H12ClN3 — CID 3161264

IUPAC2-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-amine
SMILESCc1cc(N)n(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C11H12ClN3/c1-8-6-11(13)15(14-8)7-9-2-4-10(12)5-3-9/h2-6H,7,13H2,1H3
InChIKeyFPZRXCCZKYDEIB-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.48
Rot. Bonds2

About 2-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-amine

2-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-amine (PubChem CID 3161264) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-amine
PubChem CID3161264
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name2-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-amine
SMILESCc1cc(N)n(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C11H12ClN3/c1-8-6-11(13)15(14-8)7-9-2-4-10(12)5-3-9/h2-6H,7,13H2,1H3
InChIKeyFPZRXCCZKYDEIB-UHFFFAOYSA-N
XLogP2.48
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-methyl-1H-pyrazol-5-amine
CID 769146
1H-Pyrazol-5-amine, 1-(4-chlorophenyl)-3-methyl-
CID 170301
1-Methyl-3-phenyl-1H-pyrazol-5-amine
CID 517779
3-(4-Chlorophenyl)-1-Methyl-1H-Pyrazol-5-Amine
CID 2735304
1-benzyl-3-phenyl-1H-pyrazol-5-amine
CID 684746
1,3-Dimethyl-4-phenyl-1H-pyrazol-5-amine
CID 1502824
3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-5-amine
CID 2769585
1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazole
CID 661809
1-[(3-Chlorophenyl)methyl]-1H-pyrazol-3-amine
CID 16195077
1-(3-chlorophenyl)-3-methyl-1H-pyrazol-5-amine
CID 1810630
2-(4-Chloro-benzyl)-5-p-tolyl-2H-pyrazol-3-ylamine
CID 814443
1-(4-Chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 580838

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-amine?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-amine (CID 3161264) is 2-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-amine.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-amine?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-amine is Cc1cc(N)n(Cc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-amine?
The InChIKey is FPZRXCCZKYDEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c1-8-6-11(13)15(14-8)7-9-2-4-10(12)5-3-9/h2-6H,7,13H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-amine?
2-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-amine has a molecular weight of 221.69 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-amine is sourced from PubChem (CID 3161264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).