3-[5-(cyclopropanecarbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]benzonitrile

C17H16N4O — CID 144552578

IUPAC3-[5-(cyclopropanecarbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]benzonitrile
SMILESN#Cc1cccc(-c2n[nH]c3c2CN(C(=O)C2CC2)CC3)c1
InChIInChI=1S/C17H16N4O/c18-9-11-2-1-3-13(8-11)16-14-10-21(17(22)12-4-5-12)7-6-15(14)19-20-16/h1-3,8,12H,4-7,10H2,(H,19,20)
InChIKeyQUDVKGLBOHHNDV-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.24
Rot. Bonds2

About 3-[5-(cyclopropanecarbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]benzonitrile

3-[5-(cyclopropanecarbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]benzonitrile (PubChem CID 144552578) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-[5-(cyclopropanecarbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]benzonitrile.

Molecular Properties

Compound Name3-[5-(cyclopropanecarbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]benzonitrile
PubChem CID144552578
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name3-[5-(cyclopropanecarbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]benzonitrile
SMILESN#Cc1cccc(-c2n[nH]c3c2CN(C(=O)C2CC2)CC3)c1
InChIInChI=1S/C17H16N4O/c18-9-11-2-1-3-13(8-11)16-14-10-21(17(22)12-4-5-12)7-6-15(14)19-20-16/h1-3,8,12H,4-7,10H2,(H,19,20)
InChIKeyQUDVKGLBOHHNDV-UHFFFAOYSA-N
XLogP2.24
TPSA72.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

oxolan-3-yl-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 45233016
azepan-4-yl-(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methanone
CID 154571618
2,2,2-trichloro-1-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 108725831
4-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 108750075
(3-chlorophenyl)-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 108750013
4-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one
CID 108725887
4-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(2,6-diethylphenyl)pyrrolidin-2-one
CID 108750077
N,3-diphenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121435107
3-[1-[(2,4-difluorophenyl)methyl]-5-(oxane-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]benzonitrile
CID 71533494
2-[2-oxo-2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethoxy]benzonitrile
CID 121442756
[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-pyridin-3-ylmethanone
CID 108749983
3-[4-(cyclopropanecarbonyl)-1,4-diazepane-1-carbonyl]benzonitrile
CID 110797001

Frequently Asked Questions

What is the IUPAC name of 3-[5-(cyclopropanecarbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]benzonitrile?
The IUPAC name of 3-[5-(cyclopropanecarbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]benzonitrile (CID 144552578) is 3-[5-(cyclopropanecarbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]benzonitrile.
What is the SMILES notation for 3-[5-(cyclopropanecarbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]benzonitrile?
The canonical SMILES for 3-[5-(cyclopropanecarbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]benzonitrile is N#Cc1cccc(-c2n[nH]c3c2CN(C(=O)C2CC2)CC3)c1.
What is the InChIKey of 3-[5-(cyclopropanecarbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]benzonitrile?
The InChIKey is QUDVKGLBOHHNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c18-9-11-2-1-3-13(8-11)16-14-10-21(17(22)12-4-5-12)7-6-15(14)19-20-16/h1-3,8,12H,4-7,10H2,(H,19,20).
What are the key properties of 3-[5-(cyclopropanecarbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]benzonitrile?
3-[5-(cyclopropanecarbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]benzonitrile has a molecular weight of 292.34 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(cyclopropanecarbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]benzonitrile is sourced from PubChem (CID 144552578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).