N-(2-phenylpropyl)-1H-pyrazol-4-amine

C12H15N3 — CID 43539887

IUPACN-(2-phenylpropyl)-1H-pyrazol-4-amine
SMILESCC(CNc1cn[nH]c1)c1ccccc1
InChIInChI=1S/C12H15N3/c1-10(11-5-3-2-4-6-11)7-13-12-8-14-15-9-12/h2-6,8-10,13H,7H2,1H3,(H,14,15)
InChIKeyFFPUMDYEBLIOKY-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.63
Rot. Bonds4

About N-(2-phenylpropyl)-1H-pyrazol-4-amine

N-(2-phenylpropyl)-1H-pyrazol-4-amine (PubChem CID 43539887) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-(2-phenylpropyl)-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-(2-phenylpropyl)-1H-pyrazol-4-amine
PubChem CID43539887
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC NameN-(2-phenylpropyl)-1H-pyrazol-4-amine
SMILESCC(CNc1cn[nH]c1)c1ccccc1
InChIInChI=1S/C12H15N3/c1-10(11-5-3-2-4-6-11)7-13-12-8-14-15-9-12/h2-6,8-10,13H,7H2,1H3,(H,14,15)
InChIKeyFFPUMDYEBLIOKY-UHFFFAOYSA-N
XLogP2.63
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3-dimethyl-1-phenylbutyl)-1H-pyrazol-4-amine
CID 43776931
4-(3-phenylbutyl)-1H-pyrazole
CID 138612151
(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
N-(4-phenylbutan-2-yl)-1H-pyrazol-4-amine
CID 43540049
4-N-(2-phenylpropyl)pyridine-2,4-diamine
CID 104592493
2-fluoro-N-(2-phenylpropyl)pyridin-4-amine
CID 104592076
3-N-(2-phenylpropyl)benzene-1,3-diamine
CID 104591278
5-chloro-N-(2-phenylpropyl)pyrimidin-2-amine
CID 112696400
2-methoxy-2-phenyl-N-(1H-pyrazol-4-yl)acetamide
CID 60968186
3-methoxy-N-(2-phenylpropyl)pyridin-2-amine
CID 113430232
N-(2-phenylpropyl)-1H-imidazol-2-amine
CID 106581004
(2S)-2-(cyclodecapentaenyl)-N-methylpropan-1-amine
CID 166722722

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpropyl)-1H-pyrazol-4-amine?
The IUPAC name of N-(2-phenylpropyl)-1H-pyrazol-4-amine (CID 43539887) is N-(2-phenylpropyl)-1H-pyrazol-4-amine.
What is the SMILES notation for N-(2-phenylpropyl)-1H-pyrazol-4-amine?
The canonical SMILES for N-(2-phenylpropyl)-1H-pyrazol-4-amine is CC(CNc1cn[nH]c1)c1ccccc1.
What is the InChIKey of N-(2-phenylpropyl)-1H-pyrazol-4-amine?
The InChIKey is FFPUMDYEBLIOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-10(11-5-3-2-4-6-11)7-13-12-8-14-15-9-12/h2-6,8-10,13H,7H2,1H3,(H,14,15).
What are the key properties of N-(2-phenylpropyl)-1H-pyrazol-4-amine?
N-(2-phenylpropyl)-1H-pyrazol-4-amine has a molecular weight of 201.27 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylpropyl)-1H-pyrazol-4-amine is sourced from PubChem (CID 43539887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).