azane;4-[4-(4-fluoro-3-methoxyphenyl)-1H-pyrazol-5-yl]pyridine

C15H15FN4O — CID 66877602

IUPACazane;4-[4-(4-fluoro-3-methoxyphenyl)-1H-pyrazol-5-yl]pyridine
SMILESCOc1cc(-c2cn[nH]c2-c2ccncc2)ccc1F.N
InChIInChI=1S/C15H12FN3O.H3N/c1-20-14-8-11(2-3-13(14)16)12-9-18-19-15(12)10-4-6-17-7-5-10;/h2-9H,1H3,(H,18,19);1H3
InChIKeyDZQUNJBMROFKOB-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.45
Rot. Bonds3

About azane;4-[4-(4-fluoro-3-methoxyphenyl)-1H-pyrazol-5-yl]pyridine

azane;4-[4-(4-fluoro-3-methoxyphenyl)-1H-pyrazol-5-yl]pyridine (PubChem CID 66877602) has the molecular formula C15H15FN4O and a molecular weight of 286.31 g/mol. Its IUPAC name is azane;4-[4-(4-fluoro-3-methoxyphenyl)-1H-pyrazol-5-yl]pyridine.

Molecular Properties

Compound Nameazane;4-[4-(4-fluoro-3-methoxyphenyl)-1H-pyrazol-5-yl]pyridine
PubChem CID66877602
Molecular FormulaC15H15FN4O
Molecular Weight286.31 g/mol
Exact Mass286.12
IUPAC Nameazane;4-[4-(4-fluoro-3-methoxyphenyl)-1H-pyrazol-5-yl]pyridine
SMILESCOc1cc(-c2cn[nH]c2-c2ccncc2)ccc1F.N
InChIInChI=1S/C15H12FN3O.H3N/c1-20-14-8-11(2-3-13(14)16)12-9-18-19-15(12)10-4-6-17-7-5-10;/h2-9H,1H3,(H,18,19);1H3
InChIKeyDZQUNJBMROFKOB-UHFFFAOYSA-N
XLogP3.45
TPSA85.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of azane;4-[4-(4-fluoro-3-methoxyphenyl)-1H-pyrazol-5-yl]pyridine?
The IUPAC name of azane;4-[4-(4-fluoro-3-methoxyphenyl)-1H-pyrazol-5-yl]pyridine (CID 66877602) is azane;4-[4-(4-fluoro-3-methoxyphenyl)-1H-pyrazol-5-yl]pyridine.
What is the SMILES notation for azane;4-[4-(4-fluoro-3-methoxyphenyl)-1H-pyrazol-5-yl]pyridine?
The canonical SMILES for azane;4-[4-(4-fluoro-3-methoxyphenyl)-1H-pyrazol-5-yl]pyridine is COc1cc(-c2cn[nH]c2-c2ccncc2)ccc1F.N.
What is the InChIKey of azane;4-[4-(4-fluoro-3-methoxyphenyl)-1H-pyrazol-5-yl]pyridine?
The InChIKey is DZQUNJBMROFKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O.H3N/c1-20-14-8-11(2-3-13(14)16)12-9-18-19-15(12)10-4-6-17-7-5-10;/h2-9H,1H3,(H,18,19);1H3.
What are the key properties of azane;4-[4-(4-fluoro-3-methoxyphenyl)-1H-pyrazol-5-yl]pyridine?
azane;4-[4-(4-fluoro-3-methoxyphenyl)-1H-pyrazol-5-yl]pyridine has a molecular weight of 286.31 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;4-[4-(4-fluoro-3-methoxyphenyl)-1H-pyrazol-5-yl]pyridine is sourced from PubChem (CID 66877602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).