N,1-dimethyl-3-(2-phenylethyl)pyrazol-5-amine

C13H17N3 — CID 144735657

IUPACN,1-dimethyl-3-(2-phenylethyl)pyrazol-5-amine
SMILESCNc1cc(CCc2ccccc2)nn1C
InChIInChI=1S/C13H17N3/c1-14-13-10-12(15-16(13)2)9-8-11-6-4-3-5-7-11/h3-7,10,14H,8-9H2,1-2H3
InChIKeyJFMUSYLZHJTEMX-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.25
Rot. Bonds4

About N,1-dimethyl-3-(2-phenylethyl)pyrazol-5-amine

N,1-dimethyl-3-(2-phenylethyl)pyrazol-5-amine (PubChem CID 144735657) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N,1-dimethyl-3-(2-phenylethyl)pyrazol-5-amine.

Molecular Properties

Compound NameN,1-dimethyl-3-(2-phenylethyl)pyrazol-5-amine
PubChem CID144735657
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN,1-dimethyl-3-(2-phenylethyl)pyrazol-5-amine
SMILESCNc1cc(CCc2ccccc2)nn1C
InChIInChI=1S/C13H17N3/c1-14-13-10-12(15-16(13)2)9-8-11-6-4-3-5-7-11/h3-7,10,14H,8-9H2,1-2H3
InChIKeyJFMUSYLZHJTEMX-UHFFFAOYSA-N
XLogP2.25
TPSA29.85 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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-3-(2-phenylethyl)pyrazol-5-amine?
The IUPAC name of N,1-dimethyl-3-(2-phenylethyl)pyrazol-5-amine (CID 144735657) is N,1-dimethyl-3-(2-phenylethyl)pyrazol-5-amine.
What is the SMILES notation for N,1-dimethyl-3-(2-phenylethyl)pyrazol-5-amine?
The canonical SMILES for N,1-dimethyl-3-(2-phenylethyl)pyrazol-5-amine is CNc1cc(CCc2ccccc2)nn1C.
What is the InChIKey of N,1-dimethyl-3-(2-phenylethyl)pyrazol-5-amine?
The InChIKey is JFMUSYLZHJTEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-14-13-10-12(15-16(13)2)9-8-11-6-4-3-5-7-11/h3-7,10,14H,8-9H2,1-2H3.
What are the key properties of N,1-dimethyl-3-(2-phenylethyl)pyrazol-5-amine?
N,1-dimethyl-3-(2-phenylethyl)pyrazol-5-amine has a molecular weight of 215.30 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-3-(2-phenylethyl)pyrazol-5-amine is sourced from PubChem (CID 144735657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).