1-(2-phenylpyrazol-3-yl)ethenamine

C11H11N3 — CID 169217922

IUPAC1-(2-phenylpyrazol-3-yl)ethenamine
SMILESC=C(N)c1ccnn1-c1ccccc1
InChIInChI=1S/C11H11N3/c1-9(12)11-7-8-13-14(11)10-5-3-2-4-6-10/h2-8H,1,12H2
InChIKeyQMQBVOKCRZFDCQ-UHFFFAOYSA-N
MW185.23 g/mol
LogP1.80
Rot. Bonds2

About 1-(2-phenylpyrazol-3-yl)ethenamine

1-(2-phenylpyrazol-3-yl)ethenamine (PubChem CID 169217922) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 1-(2-phenylpyrazol-3-yl)ethenamine.

Molecular Properties

Compound Name1-(2-phenylpyrazol-3-yl)ethenamine
PubChem CID169217922
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name1-(2-phenylpyrazol-3-yl)ethenamine
SMILESC=C(N)c1ccnn1-c1ccccc1
InChIInChI=1S/C11H11N3/c1-9(12)11-7-8-13-14(11)10-5-3-2-4-6-10/h2-8H,1,12H2
InChIKeyQMQBVOKCRZFDCQ-UHFFFAOYSA-N
XLogP1.80
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenylpyrazole-3-carbothioamide
CID 83387115
2-amino-2-phenyl-1-(2-phenylpyrazol-3-yl)ethanone
CID 107331594
1-(1,3-diphenylpyrazol-5-yl)ethenamine
CID 170234692
3-amino-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one
CID 107331628
(2-phenylpyrazol-3-yl)-pyridin-2-ylmethanone
CID 107330077
2-(aminomethyl)-2-ethyl-1-(2-phenylpyrazol-3-yl)butan-1-one
CID 107331719
(3,5-difluorophenyl)-(2-phenylpyrazol-3-yl)methanone
CID 107330104
5-amino-2-methyl-1-(2-phenylpyrazol-3-yl)pentan-1-one
CID 107331736
(2-phenylpyrazol-3-yl)boronic acid
CID 59436217
oxan-4-yl-(2-phenylpyrazol-3-yl)methanone
CID 107330154
(3,4-dichlorophenyl)-(2-phenylpyrazol-3-yl)methanone
CID 107330203
2-(tert-butylamino)-1-(2-phenylpyrazol-3-yl)ethanone
CID 107331688

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylpyrazol-3-yl)ethenamine?
The IUPAC name of 1-(2-phenylpyrazol-3-yl)ethenamine (CID 169217922) is 1-(2-phenylpyrazol-3-yl)ethenamine.
What is the SMILES notation for 1-(2-phenylpyrazol-3-yl)ethenamine?
The canonical SMILES for 1-(2-phenylpyrazol-3-yl)ethenamine is C=C(N)c1ccnn1-c1ccccc1.
What is the InChIKey of 1-(2-phenylpyrazol-3-yl)ethenamine?
The InChIKey is QMQBVOKCRZFDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c1-9(12)11-7-8-13-14(11)10-5-3-2-4-6-10/h2-8H,1,12H2.
What are the key properties of 1-(2-phenylpyrazol-3-yl)ethenamine?
1-(2-phenylpyrazol-3-yl)ethenamine has a molecular weight of 185.23 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylpyrazol-3-yl)ethenamine is sourced from PubChem (CID 169217922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).