5-amino-1-benzyl-3-phenylpyrazole-4-carbonitrile

C17H14N4 — CID 1208690

IUPAC5-amino-1-benzyl-3-phenylpyrazole-4-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nn(Cc2ccccc2)c1N
InChIInChI=1S/C17H14N4/c18-11-15-16(14-9-5-2-6-10-14)20-21(17(15)19)12-13-7-3-1-4-8-13/h1-10H,12,19H2
InChIKeyWKRJANVMIXALQQ-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.05
Rot. Bonds3

About 5-amino-1-benzyl-3-phenylpyrazole-4-carbonitrile

5-amino-1-benzyl-3-phenylpyrazole-4-carbonitrile (PubChem CID 1208690) has the molecular formula C17H14N4 and a molecular weight of 274.33 g/mol. Its IUPAC name is 5-amino-1-benzyl-3-phenylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-benzyl-3-phenylpyrazole-4-carbonitrile
PubChem CID1208690
Molecular FormulaC17H14N4
Molecular Weight274.33 g/mol
Exact Mass274.12
IUPAC Name5-amino-1-benzyl-3-phenylpyrazole-4-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nn(Cc2ccccc2)c1N
InChIInChI=1S/C17H14N4/c18-11-15-16(14-9-5-2-6-10-14)20-21(17(15)19)12-13-7-3-1-4-8-13/h1-10H,12,19H2
InChIKeyWKRJANVMIXALQQ-UHFFFAOYSA-N
XLogP3.05
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 769146
CID 769146
CID 660147
CID 660147
CID 619285
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CID 827454
CID 827454
CID 81585
CID 81585
CID 199969
CID 199969
CID 517779
CID 517779
CID 684746
CID 684746
CID 1502824
CID 1502824
CID 2740916
CID 2740916
CID 693933
CID 693933
CID 683821
CID 683821

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-benzyl-3-phenylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-benzyl-3-phenylpyrazole-4-carbonitrile (CID 1208690) is 5-amino-1-benzyl-3-phenylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-benzyl-3-phenylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-benzyl-3-phenylpyrazole-4-carbonitrile is N#Cc1c(-c2ccccc2)nn(Cc2ccccc2)c1N.
What is the InChIKey of 5-amino-1-benzyl-3-phenylpyrazole-4-carbonitrile?
The InChIKey is WKRJANVMIXALQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4/c18-11-15-16(14-9-5-2-6-10-14)20-21(17(15)19)12-13-7-3-1-4-8-13/h1-10H,12,19H2.
What are the key properties of 5-amino-1-benzyl-3-phenylpyrazole-4-carbonitrile?
5-amino-1-benzyl-3-phenylpyrazole-4-carbonitrile has a molecular weight of 274.33 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-benzyl-3-phenylpyrazole-4-carbonitrile is sourced from PubChem (CID 1208690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).