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

C12H14ClN3 — CID 63279074

IUPAC2-[(4-chlorophenyl)methyl]-4,5-dimethylpyrazol-3-amine
SMILESCc1nn(Cc2ccc(Cl)cc2)c(N)c1C
InChIInChI=1S/C12H14ClN3/c1-8-9(2)15-16(12(8)14)7-10-3-5-11(13)6-4-10/h3-6H,7,14H2,1-2H3
InChIKeyMZRAWPGHSIMWMT-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.78
Rot. Bonds2

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

2-[(4-chlorophenyl)methyl]-4,5-dimethylpyrazol-3-amine (PubChem CID 63279074) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-4,5-dimethylpyrazol-3-amine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-4,5-dimethylpyrazol-3-amine
PubChem CID63279074
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name2-[(4-chlorophenyl)methyl]-4,5-dimethylpyrazol-3-amine
SMILESCc1nn(Cc2ccc(Cl)cc2)c(N)c1C
InChIInChI=1S/C12H14ClN3/c1-8-9(2)15-16(12(8)14)7-10-3-5-11(13)6-4-10/h3-6H,7,14H2,1-2H3
InChIKeyMZRAWPGHSIMWMT-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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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-4,5-dimethylpyrazol-3-amine?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-4,5-dimethylpyrazol-3-amine (CID 63279074) is 2-[(4-chlorophenyl)methyl]-4,5-dimethylpyrazol-3-amine.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-4,5-dimethylpyrazol-3-amine?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-4,5-dimethylpyrazol-3-amine is Cc1nn(Cc2ccc(Cl)cc2)c(N)c1C.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-4,5-dimethylpyrazol-3-amine?
The InChIKey is MZRAWPGHSIMWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-8-9(2)15-16(12(8)14)7-10-3-5-11(13)6-4-10/h3-6H,7,14H2,1-2H3.
What are the key properties of 2-[(4-chlorophenyl)methyl]-4,5-dimethylpyrazol-3-amine?
2-[(4-chlorophenyl)methyl]-4,5-dimethylpyrazol-3-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 2-[(4-chlorophenyl)methyl]-4,5-dimethylpyrazol-3-amine is sourced from PubChem (CID 63279074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).