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

C19H15F2N7 — CID 31125360

IUPAC3-(2,4-difluorophenyl)-5-(1-phenyltetrazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESFc1ccc(-c2n[nH]c3c2CN(c2nnnn2-c2ccccc2)CC3)c(F)c1
InChIInChI=1S/C19H15F2N7/c20-12-6-7-14(16(21)10-12)18-15-11-27(9-8-17(15)22-23-18)19-24-25-26-28(19)13-4-2-1-3-5-13/h1-7,10H,8-9,11H2,(H,22,23)
InChIKeyIJJDGDRUXQEVLM-UHFFFAOYSA-N
MW379.37 g/mol
LogP2.89
Rot. Bonds3

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

3-(2,4-difluorophenyl)-5-(1-phenyltetrazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 31125360) has the molecular formula C19H15F2N7 and a molecular weight of 379.37 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-5-(1-phenyltetrazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-5-(1-phenyltetrazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID31125360
Molecular FormulaC19H15F2N7
Molecular Weight379.37 g/mol
Exact Mass379.14
IUPAC Name3-(2,4-difluorophenyl)-5-(1-phenyltetrazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESFc1ccc(-c2n[nH]c3c2CN(c2nnnn2-c2ccccc2)CC3)c(F)c1
InChIInChI=1S/C19H15F2N7/c20-12-6-7-14(16(21)10-12)18-15-11-27(9-8-17(15)22-23-18)19-24-25-26-28(19)13-4-2-1-3-5-13/h1-7,10H,8-9,11H2,(H,22,23)
InChIKeyIJJDGDRUXQEVLM-UHFFFAOYSA-N
XLogP2.89
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-5-(1-phenyltetrazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(2,4-difluorophenyl)-5-(1-phenyltetrazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 31125360) is 3-(2,4-difluorophenyl)-5-(1-phenyltetrazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(2,4-difluorophenyl)-5-(1-phenyltetrazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(2,4-difluorophenyl)-5-(1-phenyltetrazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is Fc1ccc(-c2n[nH]c3c2CN(c2nnnn2-c2ccccc2)CC3)c(F)c1.
What is the InChIKey of 3-(2,4-difluorophenyl)-5-(1-phenyltetrazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is IJJDGDRUXQEVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N7/c20-12-6-7-14(16(21)10-12)18-15-11-27(9-8-17(15)22-23-18)19-24-25-26-28(19)13-4-2-1-3-5-13/h1-7,10H,8-9,11H2,(H,22,23).
What are the key properties of 3-(2,4-difluorophenyl)-5-(1-phenyltetrazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-(2,4-difluorophenyl)-5-(1-phenyltetrazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 379.37 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-5-(1-phenyltetrazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 31125360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).