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

C14H19N3 — CID 83222405

IUPAC1-[(4-methylphenyl)methyl]-3-propan-2-ylpyrazol-4-amine
SMILESCc1ccc(Cn2cc(N)c(C(C)C)n2)cc1
InChIInChI=1S/C14H19N3/c1-10(2)14-13(15)9-17(16-14)8-12-6-4-11(3)5-7-12/h4-7,9-10H,8,15H2,1-3H3
InChIKeyBAZPCFKEPXOFCZ-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.95
Rot. Bonds3

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

1-[(4-methylphenyl)methyl]-3-propan-2-ylpyrazol-4-amine (PubChem CID 83222405) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-3-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-3-propan-2-ylpyrazol-4-amine
PubChem CID83222405
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-[(4-methylphenyl)methyl]-3-propan-2-ylpyrazol-4-amine
SMILESCc1ccc(Cn2cc(N)c(C(C)C)n2)cc1
InChIInChI=1S/C14H19N3/c1-10(2)14-13(15)9-17(16-14)8-12-6-4-11(3)5-7-12/h4-7,9-10H,8,15H2,1-3H3
InChIKeyBAZPCFKEPXOFCZ-UHFFFAOYSA-N
XLogP2.95
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-3-propan-2-ylpyrazol-4-amine?
The IUPAC name of 1-[(4-methylphenyl)methyl]-3-propan-2-ylpyrazol-4-amine (CID 83222405) is 1-[(4-methylphenyl)methyl]-3-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-3-propan-2-ylpyrazol-4-amine?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-3-propan-2-ylpyrazol-4-amine is Cc1ccc(Cn2cc(N)c(C(C)C)n2)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-3-propan-2-ylpyrazol-4-amine?
The InChIKey is BAZPCFKEPXOFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-10(2)14-13(15)9-17(16-14)8-12-6-4-11(3)5-7-12/h4-7,9-10H,8,15H2,1-3H3.
What are the key properties of 1-[(4-methylphenyl)methyl]-3-propan-2-ylpyrazol-4-amine?
1-[(4-methylphenyl)methyl]-3-propan-2-ylpyrazol-4-amine has a molecular weight of 229.33 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-3-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 83222405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).