2-(4,4-difluorocyclohexyl)-4-(1H-pyrazol-5-yl)pyridine

C14H15F2N3 — CID 175903700

IUPAC2-(4,4-difluorocyclohexyl)-4-(1H-pyrazol-5-yl)pyridine
SMILESFC1(F)CCC(c2cc(-c3ccn[nH]3)ccn2)CC1
InChIInChI=1S/C14H15F2N3/c15-14(16)5-1-10(2-6-14)13-9-11(3-7-17-13)12-4-8-18-19-12/h3-4,7-10H,1-2,5-6H2,(H,18,19)
InChIKeyPAPVBBNHAMDUGA-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.76
Rot. Bonds2

About 2-(4,4-difluorocyclohexyl)-4-(1H-pyrazol-5-yl)pyridine

2-(4,4-difluorocyclohexyl)-4-(1H-pyrazol-5-yl)pyridine (PubChem CID 175903700) has the molecular formula C14H15F2N3 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-(4,4-difluorocyclohexyl)-4-(1H-pyrazol-5-yl)pyridine.

Molecular Properties

Compound Name2-(4,4-difluorocyclohexyl)-4-(1H-pyrazol-5-yl)pyridine
PubChem CID175903700
Molecular FormulaC14H15F2N3
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-(4,4-difluorocyclohexyl)-4-(1H-pyrazol-5-yl)pyridine
SMILESFC1(F)CCC(c2cc(-c3ccn[nH]3)ccn2)CC1
InChIInChI=1S/C14H15F2N3/c15-14(16)5-1-10(2-6-14)13-9-11(3-7-17-13)12-4-8-18-19-12/h3-4,7-10H,1-2,5-6H2,(H,18,19)
InChIKeyPAPVBBNHAMDUGA-UHFFFAOYSA-N
XLogP3.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluorocyclohexyl)-4-(1H-pyrazol-5-yl)pyridine?
The IUPAC name of 2-(4,4-difluorocyclohexyl)-4-(1H-pyrazol-5-yl)pyridine (CID 175903700) is 2-(4,4-difluorocyclohexyl)-4-(1H-pyrazol-5-yl)pyridine.
What is the SMILES notation for 2-(4,4-difluorocyclohexyl)-4-(1H-pyrazol-5-yl)pyridine?
The canonical SMILES for 2-(4,4-difluorocyclohexyl)-4-(1H-pyrazol-5-yl)pyridine is FC1(F)CCC(c2cc(-c3ccn[nH]3)ccn2)CC1.
What is the InChIKey of 2-(4,4-difluorocyclohexyl)-4-(1H-pyrazol-5-yl)pyridine?
The InChIKey is PAPVBBNHAMDUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3/c15-14(16)5-1-10(2-6-14)13-9-11(3-7-17-13)12-4-8-18-19-12/h3-4,7-10H,1-2,5-6H2,(H,18,19).
What are the key properties of 2-(4,4-difluorocyclohexyl)-4-(1H-pyrazol-5-yl)pyridine?
2-(4,4-difluorocyclohexyl)-4-(1H-pyrazol-5-yl)pyridine has a molecular weight of 263.29 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluorocyclohexyl)-4-(1H-pyrazol-5-yl)pyridine is sourced from PubChem (CID 175903700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).