2-[3-(3,5-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]acetonitrile

C14H12F2N4 — CID 82588472

IUPAC2-[3-(3,5-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]acetonitrile
SMILESN#CCn1nc(-c2cc(F)cc(F)c2)c2c1CCNC2
InChIInChI=1S/C14H12F2N4/c15-10-5-9(6-11(16)7-10)14-12-8-18-3-1-13(12)20(19-14)4-2-17/h5-7,18H,1,3-4,8H2
InChIKeyJZGYQUBUMPGSHQ-UHFFFAOYSA-N
MW274.27 g/mol
LogP2.00
Rot. Bonds2

About 2-[3-(3,5-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]acetonitrile

2-[3-(3,5-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]acetonitrile (PubChem CID 82588472) has the molecular formula C14H12F2N4 and a molecular weight of 274.27 g/mol. Its IUPAC name is 2-[3-(3,5-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-(3,5-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]acetonitrile
PubChem CID82588472
Molecular FormulaC14H12F2N4
Molecular Weight274.27 g/mol
Exact Mass274.10
IUPAC Name2-[3-(3,5-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]acetonitrile
SMILESN#CCn1nc(-c2cc(F)cc(F)c2)c2c1CCNC2
InChIInChI=1S/C14H12F2N4/c15-10-5-9(6-11(16)7-10)14-12-8-18-3-1-13(12)20(19-14)4-2-17/h5-7,18H,1,3-4,8H2
InChIKeyJZGYQUBUMPGSHQ-UHFFFAOYSA-N
XLogP2.00
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]acetonitrile?
The IUPAC name of 2-[3-(3,5-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]acetonitrile (CID 82588472) is 2-[3-(3,5-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]acetonitrile.
What is the SMILES notation for 2-[3-(3,5-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]acetonitrile?
The canonical SMILES for 2-[3-(3,5-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]acetonitrile is N#CCn1nc(-c2cc(F)cc(F)c2)c2c1CCNC2.
What is the InChIKey of 2-[3-(3,5-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]acetonitrile?
The InChIKey is JZGYQUBUMPGSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N4/c15-10-5-9(6-11(16)7-10)14-12-8-18-3-1-13(12)20(19-14)4-2-17/h5-7,18H,1,3-4,8H2.
What are the key properties of 2-[3-(3,5-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]acetonitrile?
2-[3-(3,5-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]acetonitrile has a molecular weight of 274.27 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]acetonitrile is sourced from PubChem (CID 82588472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).