2-(1H-indazol-5-ylmethyl)benzonitrile

C15H11N3 — CID 71150352

IUPAC2-(1H-indazol-5-ylmethyl)benzonitrile
SMILESN#Cc1ccccc1Cc1ccc2[nH]ncc2c1
InChIInChI=1S/C15H11N3/c16-9-13-4-2-1-3-12(13)7-11-5-6-15-14(8-11)10-17-18-15/h1-6,8,10H,7H2,(H,17,18)
InChIKeyWPKGMMWCTSCEAM-UHFFFAOYSA-N
MW233.27 g/mol
LogP3.03
Rot. Bonds2

About 2-(1H-indazol-5-ylmethyl)benzonitrile

2-(1H-indazol-5-ylmethyl)benzonitrile (PubChem CID 71150352) has the molecular formula C15H11N3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-(1H-indazol-5-ylmethyl)benzonitrile.

Molecular Properties

Compound Name2-(1H-indazol-5-ylmethyl)benzonitrile
PubChem CID71150352
Molecular FormulaC15H11N3
Molecular Weight233.27 g/mol
Exact Mass233.10
IUPAC Name2-(1H-indazol-5-ylmethyl)benzonitrile
SMILESN#Cc1ccccc1Cc1ccc2[nH]ncc2c1
InChIInChI=1S/C15H11N3/c16-9-13-4-2-1-3-12(13)7-11-5-6-15-14(8-11)10-17-18-15/h1-6,8,10H,7H2,(H,17,18)
InChIKeyWPKGMMWCTSCEAM-UHFFFAOYSA-N
XLogP3.03
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-cyanophenyl)methyl]benzonitrile
CID 19390291
N-[4-(2-cyanophenoxy)-3-fluorophenyl]-2-(1H-indazol-5-yl)acetamide
CID 166221555
6-(ethylamino)-4-(1H-indazol-5-ylmethylamino)pyridine-3-carbonitrile
CID 154726599
7-(1H-indazol-5-ylmethyl)-2H-triazolo[4,5-b]pyridin-5-amine
CID 126679445
5-(chloromethyl)-1H-indazole;hydrochloride
CID 72710304
2-(1H-indazol-5-yl)acetic acid
CID 39103838
2-[(2-methyl-4-pyridinyl)methyl]benzonitrile
CID 166100145
5-[[6-[(3,4-diethylphenyl)methyl]-2-pyridinyl]methyl]-1H-indazole
CID 143805380
5-(methoxymethyl)-1H-indazole
CID 123206066
[2-(1H-indazol-5-yl)phenyl]methanol
CID 56711805
N-cyano-1H-indazole-5-carboxamide
CID 79195271
5-dodecyl-1H-indazole
CID 67799721

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-5-ylmethyl)benzonitrile?
The IUPAC name of 2-(1H-indazol-5-ylmethyl)benzonitrile (CID 71150352) is 2-(1H-indazol-5-ylmethyl)benzonitrile.
What is the SMILES notation for 2-(1H-indazol-5-ylmethyl)benzonitrile?
The canonical SMILES for 2-(1H-indazol-5-ylmethyl)benzonitrile is N#Cc1ccccc1Cc1ccc2[nH]ncc2c1.
What is the InChIKey of 2-(1H-indazol-5-ylmethyl)benzonitrile?
The InChIKey is WPKGMMWCTSCEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3/c16-9-13-4-2-1-3-12(13)7-11-5-6-15-14(8-11)10-17-18-15/h1-6,8,10H,7H2,(H,17,18).
What are the key properties of 2-(1H-indazol-5-ylmethyl)benzonitrile?
2-(1H-indazol-5-ylmethyl)benzonitrile has a molecular weight of 233.27 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-5-ylmethyl)benzonitrile is sourced from PubChem (CID 71150352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).