5-amino-1-phenylpyrazole-4-carbonitrile;ethane

C12H14N4 — CID 90912579

IUPAC5-amino-1-phenylpyrazole-4-carbonitrile;ethane
SMILESCC.N#Cc1cnn(-c2ccccc2)c1N
InChIInChI=1S/C10H8N4.C2H6/c11-6-8-7-13-14(10(8)12)9-4-2-1-3-5-9;1-2/h1-5,7H,12H2;1-2H3
InChIKeyHMEHGUGNYJPPAZ-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.35
Rot. Bonds1

About 5-amino-1-phenylpyrazole-4-carbonitrile;ethane

5-amino-1-phenylpyrazole-4-carbonitrile;ethane (PubChem CID 90912579) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 5-amino-1-phenylpyrazole-4-carbonitrile;ethane.

Molecular Properties

Compound Name5-amino-1-phenylpyrazole-4-carbonitrile;ethane
PubChem CID90912579
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name5-amino-1-phenylpyrazole-4-carbonitrile;ethane
SMILESCC.N#Cc1cnn(-c2ccccc2)c1N
InChIInChI=1S/C10H8N4.C2H6/c11-6-8-7-13-14(10(8)12)9-4-2-1-3-5-9;1-2/h1-5,7H,12H2;1-2H3
InChIKeyHMEHGUGNYJPPAZ-UHFFFAOYSA-N
XLogP2.35
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-phenylpyrazole-4-carbonitrile;ethane?
The IUPAC name of 5-amino-1-phenylpyrazole-4-carbonitrile;ethane (CID 90912579) is 5-amino-1-phenylpyrazole-4-carbonitrile;ethane.
What is the SMILES notation for 5-amino-1-phenylpyrazole-4-carbonitrile;ethane?
The canonical SMILES for 5-amino-1-phenylpyrazole-4-carbonitrile;ethane is CC.N#Cc1cnn(-c2ccccc2)c1N.
What is the InChIKey of 5-amino-1-phenylpyrazole-4-carbonitrile;ethane?
The InChIKey is HMEHGUGNYJPPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4.C2H6/c11-6-8-7-13-14(10(8)12)9-4-2-1-3-5-9;1-2/h1-5,7H,12H2;1-2H3.
What are the key properties of 5-amino-1-phenylpyrazole-4-carbonitrile;ethane?
5-amino-1-phenylpyrazole-4-carbonitrile;ethane has a molecular weight of 214.27 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-phenylpyrazole-4-carbonitrile;ethane is sourced from PubChem (CID 90912579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).