2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-amine

C13H17N3 — CID 4962346

IUPAC2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-amine
SMILESCC(C)c1ccc(Cn2nccc2N)cc1
InChIInChI=1S/C13H17N3/c1-10(2)12-5-3-11(4-6-12)9-16-13(14)7-8-15-16/h3-8,10H,9,14H2,1-2H3
InChIKeyYXUMURJAITZODM-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.64
Rot. Bonds3

About 2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-amine

2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-amine (PubChem CID 4962346) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-amine
PubChem CID4962346
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-amine
SMILESCC(C)c1ccc(Cn2nccc2N)cc1
InChIInChI=1S/C13H17N3/c1-10(2)12-5-3-11(4-6-12)9-16-13(14)7-8-15-16/h3-8,10H,9,14H2,1-2H3
InChIKeyYXUMURJAITZODM-UHFFFAOYSA-N
XLogP2.64
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-amine?
The IUPAC name of 2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-amine (CID 4962346) is 2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-amine.
What is the SMILES notation for 2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-amine?
The canonical SMILES for 2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-amine is CC(C)c1ccc(Cn2nccc2N)cc1.
What is the InChIKey of 2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-amine?
The InChIKey is YXUMURJAITZODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-10(2)12-5-3-11(4-6-12)9-16-13(14)7-8-15-16/h3-8,10H,9,14H2,1-2H3.
What are the key properties of 2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-amine?
2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-amine has a molecular weight of 215.30 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-amine is sourced from PubChem (CID 4962346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).