1-ethyl-N-(2-phenylethyl)pyrazol-4-amine

C13H17N3 — CID 43543523

IUPAC1-ethyl-N-(2-phenylethyl)pyrazol-4-amine
SMILESCCn1cc(NCCc2ccccc2)cn1
InChIInChI=1S/C13H17N3/c1-2-16-11-13(10-15-16)14-9-8-12-6-4-3-5-7-12/h3-7,10-11,14H,2,8-9H2,1H3
InChIKeyPMCJORDFFPULEN-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.56
Rot. Bonds5

About 1-ethyl-N-(2-phenylethyl)pyrazol-4-amine

1-ethyl-N-(2-phenylethyl)pyrazol-4-amine (PubChem CID 43543523) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-ethyl-N-(2-phenylethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-N-(2-phenylethyl)pyrazol-4-amine
PubChem CID43543523
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name1-ethyl-N-(2-phenylethyl)pyrazol-4-amine
SMILESCCn1cc(NCCc2ccccc2)cn1
InChIInChI=1S/C13H17N3/c1-2-16-11-13(10-15-16)14-9-8-12-6-4-3-5-7-12/h3-7,10-11,14H,2,8-9H2,1H3
InChIKeyPMCJORDFFPULEN-UHFFFAOYSA-N
XLogP2.56
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-N-(2-phenylethyl)pyrazol-4-amine
CID 82539254
N,1-diethylpyrazol-4-amine
CID 43543394
1-benzyl-N-octylpyrazol-4-amine
CID 63451849
1-benzyl-N-heptylpyrazol-4-amine
CID 63451804
1-benzyl-N-(2-fluoroethyl)pyrazol-4-amine
CID 130992839
1-ethyl-N-[(2-methoxyphenyl)methyl]pyrazol-4-amine
CID 19625854
N-(1-benzylpyrrolidin-3-yl)-1-ethylpyrazol-4-amine
CID 43543283
ethane;N-(2-phenylethyl)aniline
CID 91194556
4-[[(1-ethylpyrazol-4-yl)amino]methyl]phenol
CID 19627559
3-[(1-benzylpyrazol-4-yl)amino]propanoic acid
CID 82539638
1-N-ethyl-4-N-(2-phenylethyl)benzene-1,4-diamine
CID 83962401
1-(1-benzylpyrazol-4-yl)-3-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]thiourea
CID 19445863

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2-phenylethyl)pyrazol-4-amine?
The IUPAC name of 1-ethyl-N-(2-phenylethyl)pyrazol-4-amine (CID 43543523) is 1-ethyl-N-(2-phenylethyl)pyrazol-4-amine.
What is the SMILES notation for 1-ethyl-N-(2-phenylethyl)pyrazol-4-amine?
The canonical SMILES for 1-ethyl-N-(2-phenylethyl)pyrazol-4-amine is CCn1cc(NCCc2ccccc2)cn1.
What is the InChIKey of 1-ethyl-N-(2-phenylethyl)pyrazol-4-amine?
The InChIKey is PMCJORDFFPULEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-2-16-11-13(10-15-16)14-9-8-12-6-4-3-5-7-12/h3-7,10-11,14H,2,8-9H2,1H3.
What are the key properties of 1-ethyl-N-(2-phenylethyl)pyrazol-4-amine?
1-ethyl-N-(2-phenylethyl)pyrazol-4-amine has a molecular weight of 215.30 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(2-phenylethyl)pyrazol-4-amine is sourced from PubChem (CID 43543523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).