1-methyl-3-phenyl-N-propan-2-ylpyrazol-5-amine

C13H17N3 — CID 10727427

IUPAC1-methyl-3-phenyl-N-propan-2-ylpyrazol-5-amine
SMILESCC(C)Nc1cc(-c2ccccc2)nn1C
InChIInChI=1S/C13H17N3/c1-10(2)14-13-9-12(15-16(13)3)11-7-5-4-6-8-11/h4-10,14H,1-3H3
InChIKeyXEGOKPFWSBIHQQ-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.91
Rot. Bonds3

About 1-methyl-3-phenyl-N-propan-2-ylpyrazol-5-amine

1-methyl-3-phenyl-N-propan-2-ylpyrazol-5-amine (PubChem CID 10727427) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-methyl-3-phenyl-N-propan-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-3-phenyl-N-propan-2-ylpyrazol-5-amine
PubChem CID10727427
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name1-methyl-3-phenyl-N-propan-2-ylpyrazol-5-amine
SMILESCC(C)Nc1cc(-c2ccccc2)nn1C
InChIInChI=1S/C13H17N3/c1-10(2)14-13-9-12(15-16(13)3)11-7-5-4-6-8-11/h4-10,14H,1-3H3
InChIKeyXEGOKPFWSBIHQQ-UHFFFAOYSA-N
XLogP2.91
TPSA29.85 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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenyl-N-propan-2-ylpyrazol-5-amine?
The IUPAC name of 1-methyl-3-phenyl-N-propan-2-ylpyrazol-5-amine (CID 10727427) is 1-methyl-3-phenyl-N-propan-2-ylpyrazol-5-amine.
What is the SMILES notation for 1-methyl-3-phenyl-N-propan-2-ylpyrazol-5-amine?
The canonical SMILES for 1-methyl-3-phenyl-N-propan-2-ylpyrazol-5-amine is CC(C)Nc1cc(-c2ccccc2)nn1C.
What is the InChIKey of 1-methyl-3-phenyl-N-propan-2-ylpyrazol-5-amine?
The InChIKey is XEGOKPFWSBIHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-10(2)14-13-9-12(15-16(13)3)11-7-5-4-6-8-11/h4-10,14H,1-3H3.
What are the key properties of 1-methyl-3-phenyl-N-propan-2-ylpyrazol-5-amine?
1-methyl-3-phenyl-N-propan-2-ylpyrazol-5-amine has a molecular weight of 215.30 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenyl-N-propan-2-ylpyrazol-5-amine is sourced from PubChem (CID 10727427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).