1,5-diamino-3-phenylpyrazole-4-carbonitrile

C10H9N5 — CID 174641016

IUPAC1,5-diamino-3-phenylpyrazole-4-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nn(N)c1N
InChIInChI=1S/C10H9N5/c11-6-8-9(14-15(13)10(8)12)7-4-2-1-3-5-7/h1-5H,12-13H2
InChIKeySJPKMVRRASEPIS-UHFFFAOYSA-N
MW199.22 g/mol
LogP0.72
Rot. Bonds1

About 1,5-diamino-3-phenylpyrazole-4-carbonitrile

1,5-diamino-3-phenylpyrazole-4-carbonitrile (PubChem CID 174641016) has the molecular formula C10H9N5 and a molecular weight of 199.22 g/mol. Its IUPAC name is 1,5-diamino-3-phenylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name1,5-diamino-3-phenylpyrazole-4-carbonitrile
PubChem CID174641016
Molecular FormulaC10H9N5
Molecular Weight199.22 g/mol
Exact Mass199.09
IUPAC Name1,5-diamino-3-phenylpyrazole-4-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nn(N)c1N
InChIInChI=1S/C10H9N5/c11-6-8-9(14-15(13)10(8)12)7-4-2-1-3-5-7/h1-5H,12-13H2
InChIKeySJPKMVRRASEPIS-UHFFFAOYSA-N
XLogP0.72
TPSA93.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,5-diamino-3-phenylpyrazole-4-carbonitrile?
The IUPAC name of 1,5-diamino-3-phenylpyrazole-4-carbonitrile (CID 174641016) is 1,5-diamino-3-phenylpyrazole-4-carbonitrile.
What is the SMILES notation for 1,5-diamino-3-phenylpyrazole-4-carbonitrile?
The canonical SMILES for 1,5-diamino-3-phenylpyrazole-4-carbonitrile is N#Cc1c(-c2ccccc2)nn(N)c1N.
What is the InChIKey of 1,5-diamino-3-phenylpyrazole-4-carbonitrile?
The InChIKey is SJPKMVRRASEPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5/c11-6-8-9(14-15(13)10(8)12)7-4-2-1-3-5-7/h1-5H,12-13H2.
What are the key properties of 1,5-diamino-3-phenylpyrazole-4-carbonitrile?
1,5-diamino-3-phenylpyrazole-4-carbonitrile has a molecular weight of 199.22 g/mol, XLogP of 0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diamino-3-phenylpyrazole-4-carbonitrile is sourced from PubChem (CID 174641016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).