4-methyl-1-(1-phenylethyl)pyrazol-5-amine

C12H15N3 — CID 43148081

IUPAC4-methyl-1-(1-phenylethyl)pyrazol-5-amine
SMILESCc1cnn(C(C)c2ccccc2)c1N
InChIInChI=1S/C12H15N3/c1-9-8-14-15(12(9)13)10(2)11-6-4-3-5-7-11/h3-8,10H,13H2,1-2H3
InChIKeyZCKLNNWLIJVAAS-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.38
Rot. Bonds2

About 4-methyl-1-(1-phenylethyl)pyrazol-5-amine

4-methyl-1-(1-phenylethyl)pyrazol-5-amine (PubChem CID 43148081) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-methyl-1-(1-phenylethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-methyl-1-(1-phenylethyl)pyrazol-5-amine
PubChem CID43148081
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name4-methyl-1-(1-phenylethyl)pyrazol-5-amine
SMILESCc1cnn(C(C)c2ccccc2)c1N
InChIInChI=1S/C12H15N3/c1-9-8-14-15(12(9)13)10(2)11-6-4-3-5-7-11/h3-8,10H,13H2,1-2H3
InChIKeyZCKLNNWLIJVAAS-UHFFFAOYSA-N
XLogP2.38
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2,6-difluorophenyl)ethyl]-4-methylpyrazol-5-amine
CID 43148131
1-[1-(1-benzothiophen-2-yl)ethyl]-4-methylpyrazol-5-amine
CID 114910116
1-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylpyrazol-5-amine
CID 61336106
5,6-dimethyl-1-(1-phenylethyl)benzimidazol-2-amine
CID 82359041
1-(1-phenylethyl)tetrazol-5-amine
CID 19981424
1-[1-(3-chlorophenyl)propyl]-4-methylpyrazol-5-amine
CID 43148085
4,5-dichloro-2-[(1R)-1-phenylethyl]pyridazin-3-one
CID 67981962
4-(5-amino-4-methylpyrazol-1-yl)pentanoic acid
CID 142144868
2-methyl-4-[1-(1-phenylethyl)tetrazol-5-yl]aniline
CID 61354476
2-(1-phenylethyl)-4H-1,2,4-triazol-3-one
CID 137099420
3,5-diethyl-1-(1-phenylethyl)pyrazol-4-amine
CID 82702115
4-methyl-1-(2-phenylethyl)pyrazol-5-amine
CID 43148141

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1-phenylethyl)pyrazol-5-amine?
The IUPAC name of 4-methyl-1-(1-phenylethyl)pyrazol-5-amine (CID 43148081) is 4-methyl-1-(1-phenylethyl)pyrazol-5-amine.
What is the SMILES notation for 4-methyl-1-(1-phenylethyl)pyrazol-5-amine?
The canonical SMILES for 4-methyl-1-(1-phenylethyl)pyrazol-5-amine is Cc1cnn(C(C)c2ccccc2)c1N.
What is the InChIKey of 4-methyl-1-(1-phenylethyl)pyrazol-5-amine?
The InChIKey is ZCKLNNWLIJVAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-9-8-14-15(12(9)13)10(2)11-6-4-3-5-7-11/h3-8,10H,13H2,1-2H3.
What are the key properties of 4-methyl-1-(1-phenylethyl)pyrazol-5-amine?
4-methyl-1-(1-phenylethyl)pyrazol-5-amine has a molecular weight of 201.27 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1-phenylethyl)pyrazol-5-amine is sourced from PubChem (CID 43148081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).