1-[(4-chlorophenyl)methyl]-3-propan-2-ylpyrazol-4-amine

C13H16ClN3 — CID 83222945

IUPAC1-[(4-chlorophenyl)methyl]-3-propan-2-ylpyrazol-4-amine
SMILESCC(C)c1nn(Cc2ccc(Cl)cc2)cc1N
InChIInChI=1S/C13H16ClN3/c1-9(2)13-12(15)8-17(16-13)7-10-3-5-11(14)6-4-10/h3-6,8-9H,7,15H2,1-2H3
InChIKeyFNUHSJCGACZETQ-UHFFFAOYSA-N
MW249.75 g/mol
LogP3.29
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-3-propan-2-ylpyrazol-4-amine

1-[(4-chlorophenyl)methyl]-3-propan-2-ylpyrazol-4-amine (PubChem CID 83222945) has the molecular formula C13H16ClN3 and a molecular weight of 249.75 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-propan-2-ylpyrazol-4-amine
PubChem CID83222945
Molecular FormulaC13H16ClN3
Molecular Weight249.75 g/mol
Exact Mass249.10
IUPAC Name1-[(4-chlorophenyl)methyl]-3-propan-2-ylpyrazol-4-amine
SMILESCC(C)c1nn(Cc2ccc(Cl)cc2)cc1N
InChIInChI=1S/C13H16ClN3/c1-9(2)13-12(15)8-17(16-13)7-10-3-5-11(14)6-4-10/h3-6,8-9H,7,15H2,1-2H3
InChIKeyFNUHSJCGACZETQ-UHFFFAOYSA-N
XLogP3.29
TPSA43.84 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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-propan-2-ylpyrazol-4-amine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-propan-2-ylpyrazol-4-amine (CID 83222945) is 1-[(4-chlorophenyl)methyl]-3-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-propan-2-ylpyrazol-4-amine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-propan-2-ylpyrazol-4-amine is CC(C)c1nn(Cc2ccc(Cl)cc2)cc1N.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-propan-2-ylpyrazol-4-amine?
The InChIKey is FNUHSJCGACZETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-9(2)13-12(15)8-17(16-13)7-10-3-5-11(14)6-4-10/h3-6,8-9H,7,15H2,1-2H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-propan-2-ylpyrazol-4-amine?
1-[(4-chlorophenyl)methyl]-3-propan-2-ylpyrazol-4-amine has a molecular weight of 249.75 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 83222945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).