1-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile

C14H13BrN4 — CID 82588668

IUPAC1-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile
SMILESN#Cc1nn(Cc2ccc(Br)cc2)c2c1CNCC2
InChIInChI=1S/C14H13BrN4/c15-11-3-1-10(2-4-11)9-19-14-5-6-17-8-12(14)13(7-16)18-19/h1-4,17H,5-6,8-9H2
InChIKeyLUQBQTGRGGLNLK-UHFFFAOYSA-N
MW317.19 g/mol
LogP2.21
Rot. Bonds2

About 1-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile

1-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile (PubChem CID 82588668) has the molecular formula C14H13BrN4 and a molecular weight of 317.19 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile
PubChem CID82588668
Molecular FormulaC14H13BrN4
Molecular Weight317.19 g/mol
Exact Mass316.03
IUPAC Name1-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile
SMILESN#Cc1nn(Cc2ccc(Br)cc2)c2c1CNCC2
InChIInChI=1S/C14H13BrN4/c15-11-3-1-10(2-4-11)9-19-14-5-6-17-8-12(14)13(7-16)18-19/h1-4,17H,5-6,8-9H2
InChIKeyLUQBQTGRGGLNLK-UHFFFAOYSA-N
XLogP2.21
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile
CID 82588635
1-[(4-tert-butylphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile
CID 82588660
1-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile
CID 105456666
1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82587041
1-benzyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile
CID 82586237
1-[[4-(dimethylamino)phenyl]methyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile
CID 82586257
3-tert-butyl-1-[[4-(trifluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110458959
methyl 4-[[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]methyl]benzoate
CID 110458966
3-(3-cyano-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid
CID 82588694
1-[(4-chlorophenyl)methyl]-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82587515
1-[(3,4-difluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 82588556
3-(4-fluorophenyl)-1-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82587820

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile?
The IUPAC name of 1-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile (CID 82588668) is 1-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile is N#Cc1nn(Cc2ccc(Br)cc2)c2c1CNCC2.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile?
The InChIKey is LUQBQTGRGGLNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4/c15-11-3-1-10(2-4-11)9-19-14-5-6-17-8-12(14)13(7-16)18-19/h1-4,17H,5-6,8-9H2.
What are the key properties of 1-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile?
1-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile has a molecular weight of 317.19 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile is sourced from PubChem (CID 82588668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).