N-butan-2-yl-5-phenyl-1H-pyrazol-3-amine

C13H17N3 — CID 71102325

IUPACN-butan-2-yl-5-phenyl-1H-pyrazol-3-amine
SMILESCCC(C)Nc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C13H17N3/c1-3-10(2)14-13-9-12(15-16-13)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H2,14,15,16)
InChIKeyAJYJGNVQMKZYIU-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.29
Rot. Bonds4

About N-butan-2-yl-5-phenyl-1H-pyrazol-3-amine

N-butan-2-yl-5-phenyl-1H-pyrazol-3-amine (PubChem CID 71102325) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-butan-2-yl-5-phenyl-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-butan-2-yl-5-phenyl-1H-pyrazol-3-amine
PubChem CID71102325
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN-butan-2-yl-5-phenyl-1H-pyrazol-3-amine
SMILESCCC(C)Nc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C13H17N3/c1-3-10(2)14-13-9-12(15-16-13)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H2,14,15,16)
InChIKeyAJYJGNVQMKZYIU-UHFFFAOYSA-N
XLogP3.29
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-phenyl-1H-pyrazol-3-amine?
The IUPAC name of N-butan-2-yl-5-phenyl-1H-pyrazol-3-amine (CID 71102325) is N-butan-2-yl-5-phenyl-1H-pyrazol-3-amine.
What is the SMILES notation for N-butan-2-yl-5-phenyl-1H-pyrazol-3-amine?
The canonical SMILES for N-butan-2-yl-5-phenyl-1H-pyrazol-3-amine is CCC(C)Nc1cc(-c2ccccc2)[nH]n1.
What is the InChIKey of N-butan-2-yl-5-phenyl-1H-pyrazol-3-amine?
The InChIKey is AJYJGNVQMKZYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-3-10(2)14-13-9-12(15-16-13)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H2,14,15,16).
What are the key properties of N-butan-2-yl-5-phenyl-1H-pyrazol-3-amine?
N-butan-2-yl-5-phenyl-1H-pyrazol-3-amine has a molecular weight of 215.30 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-phenyl-1H-pyrazol-3-amine is sourced from PubChem (CID 71102325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).