4-(3-amino-4,5,6,7-tetrahydroindazol-2-yl)benzonitrile

C14H14N4 — CID 65348648

IUPAC4-(3-amino-4,5,6,7-tetrahydroindazol-2-yl)benzonitrile
SMILESN#Cc1ccc(-n2nc3c(c2N)CCCC3)cc1
InChIInChI=1S/C14H14N4/c15-9-10-5-7-11(8-6-10)18-14(16)12-3-1-2-4-13(12)17-18/h5-8H,1-4,16H2
InChIKeyYOAPLKGHXRAMQM-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.20
Rot. Bonds1

About 4-(3-amino-4,5,6,7-tetrahydroindazol-2-yl)benzonitrile

4-(3-amino-4,5,6,7-tetrahydroindazol-2-yl)benzonitrile (PubChem CID 65348648) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-(3-amino-4,5,6,7-tetrahydroindazol-2-yl)benzonitrile.

Molecular Properties

Compound Name4-(3-amino-4,5,6,7-tetrahydroindazol-2-yl)benzonitrile
PubChem CID65348648
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name4-(3-amino-4,5,6,7-tetrahydroindazol-2-yl)benzonitrile
SMILESN#Cc1ccc(-n2nc3c(c2N)CCCC3)cc1
InChIInChI=1S/C14H14N4/c15-9-10-5-7-11(8-6-10)18-14(16)12-3-1-2-4-13(12)17-18/h5-8H,1-4,16H2
InChIKeyYOAPLKGHXRAMQM-UHFFFAOYSA-N
XLogP2.20
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrazole, 5-amino-3-(p-aminophenyl)-1-phenyl-
CID 202779
3-Methyl-1-(2-methylphenyl)-1H-pyrazol-5-amine
CID 775688
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CID 619285
2-Phenyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-amine
CID 7130757
5-Amino-4-cyano-1-phenyl-1H-pyrazole-3-acetonitrile
CID 81585
1,3-Diphenyl-1H-pyrazol-5-amine
CID 199969
3-(3-Methylphenyl)-1-phenyl-1H-pyrazol-5-ylamine
CID 2060622
3-(4-ethylphenyl)-1-phenyl-1H-pyrazol-5-amine
CID 2517678
3-methyl-1-(3-methylphenyl)-1H-pyrazol-5-amine
CID 936840
5-Amino-1-(p-tolyl)pyrazole-4-carbonitrile
CID 2800424
1H-Pyrazol-5-amine, 3-methyl-1-(4-methylphenyl)-
CID 112855
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CID 854142

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-4,5,6,7-tetrahydroindazol-2-yl)benzonitrile?
The IUPAC name of 4-(3-amino-4,5,6,7-tetrahydroindazol-2-yl)benzonitrile (CID 65348648) is 4-(3-amino-4,5,6,7-tetrahydroindazol-2-yl)benzonitrile.
What is the SMILES notation for 4-(3-amino-4,5,6,7-tetrahydroindazol-2-yl)benzonitrile?
The canonical SMILES for 4-(3-amino-4,5,6,7-tetrahydroindazol-2-yl)benzonitrile is N#Cc1ccc(-n2nc3c(c2N)CCCC3)cc1.
What is the InChIKey of 4-(3-amino-4,5,6,7-tetrahydroindazol-2-yl)benzonitrile?
The InChIKey is YOAPLKGHXRAMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c15-9-10-5-7-11(8-6-10)18-14(16)12-3-1-2-4-13(12)17-18/h5-8H,1-4,16H2.
What are the key properties of 4-(3-amino-4,5,6,7-tetrahydroindazol-2-yl)benzonitrile?
4-(3-amino-4,5,6,7-tetrahydroindazol-2-yl)benzonitrile has a molecular weight of 238.29 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-4,5,6,7-tetrahydroindazol-2-yl)benzonitrile is sourced from PubChem (CID 65348648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).