2-(1-phenylbutan-2-yl)pyrazol-3-amine

C13H17N3 — CID 79008555

IUPAC2-(1-phenylbutan-2-yl)pyrazol-3-amine
SMILESCCC(Cc1ccccc1)n1nccc1N
InChIInChI=1S/C13H17N3/c1-2-12(16-13(14)8-9-15-16)10-11-6-4-3-5-7-11/h3-9,12H,2,10,14H2,1H3
InChIKeySXCPSJIBSUANCJ-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.66
Rot. Bonds4

About 2-(1-phenylbutan-2-yl)pyrazol-3-amine

2-(1-phenylbutan-2-yl)pyrazol-3-amine (PubChem CID 79008555) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-(1-phenylbutan-2-yl)pyrazol-3-amine.

Molecular Properties

Compound Name2-(1-phenylbutan-2-yl)pyrazol-3-amine
PubChem CID79008555
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-(1-phenylbutan-2-yl)pyrazol-3-amine
SMILESCCC(Cc1ccccc1)n1nccc1N
InChIInChI=1S/C13H17N3/c1-2-12(16-13(14)8-9-15-16)10-11-6-4-3-5-7-11/h3-9,12H,2,10,14H2,1H3
InChIKeySXCPSJIBSUANCJ-UHFFFAOYSA-N
XLogP2.66
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,2-diphenylethyl)pyrazol-3-amine
CID 24708915
2-(5-phenylpentan-2-yl)pyrazol-3-amine
CID 141003907
2-octan-2-ylpyrazol-3-amine
CID 43130133
1-(2-methylpyrazol-3-yl)-3-phenylpropan-2-amine
CID 114553831
2-ethylbutylbenzene;methane
CID 158777195
(2R)-2-benzylbutan-1-amine
CID 42325983
2-(1-phenylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522370
2-phenyl-1-trimethylsilylethanethiol
CID 3849322
2-iodobutylbenzene
CID 11196235
1-benzyl-5-(1-chloroethyl)pyrazole
CID 121008900
(2S,3S)-3-benzylpentan-2-amine
CID 93427085
4-benzylhexan-3-amine
CID 79307662

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylbutan-2-yl)pyrazol-3-amine?
The IUPAC name of 2-(1-phenylbutan-2-yl)pyrazol-3-amine (CID 79008555) is 2-(1-phenylbutan-2-yl)pyrazol-3-amine.
What is the SMILES notation for 2-(1-phenylbutan-2-yl)pyrazol-3-amine?
The canonical SMILES for 2-(1-phenylbutan-2-yl)pyrazol-3-amine is CCC(Cc1ccccc1)n1nccc1N.
What is the InChIKey of 2-(1-phenylbutan-2-yl)pyrazol-3-amine?
The InChIKey is SXCPSJIBSUANCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-2-12(16-13(14)8-9-15-16)10-11-6-4-3-5-7-11/h3-9,12H,2,10,14H2,1H3.
What are the key properties of 2-(1-phenylbutan-2-yl)pyrazol-3-amine?
2-(1-phenylbutan-2-yl)pyrazol-3-amine has a molecular weight of 215.30 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylbutan-2-yl)pyrazol-3-amine is sourced from PubChem (CID 79008555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).