4-[5-[4-(azetidin-2-ylmethoxy)-2,6-difluorophenyl]-1H-pyrazol-3-yl]-1-methylpyrazole

C17H17F2N5O — CID 134329162

IUPAC4-[5-[4-(azetidin-2-ylmethoxy)-2,6-difluorophenyl]-1H-pyrazol-3-yl]-1-methylpyrazole
SMILESCn1cc(-c2cc(-c3c(F)cc(OCC4CCN4)cc3F)[nH]n2)cn1
InChIInChI=1S/C17H17F2N5O/c1-24-8-10(7-21-24)15-6-16(23-22-15)17-13(18)4-12(5-14(17)19)25-9-11-2-3-20-11/h4-8,11,20H,2-3,9H2,1H3,(H,22,23)
InChIKeySTQHPHMAYXKBJM-UHFFFAOYSA-N
MW345.35 g/mol
LogP2.50
Rot. Bonds5

About 4-[5-[4-(azetidin-2-ylmethoxy)-2,6-difluorophenyl]-1H-pyrazol-3-yl]-1-methylpyrazole

4-[5-[4-(azetidin-2-ylmethoxy)-2,6-difluorophenyl]-1H-pyrazol-3-yl]-1-methylpyrazole (PubChem CID 134329162) has the molecular formula C17H17F2N5O and a molecular weight of 345.35 g/mol. Its IUPAC name is 4-[5-[4-(azetidin-2-ylmethoxy)-2,6-difluorophenyl]-1H-pyrazol-3-yl]-1-methylpyrazole.

Molecular Properties

Compound Name4-[5-[4-(azetidin-2-ylmethoxy)-2,6-difluorophenyl]-1H-pyrazol-3-yl]-1-methylpyrazole
PubChem CID134329162
Molecular FormulaC17H17F2N5O
Molecular Weight345.35 g/mol
Exact Mass345.14
IUPAC Name4-[5-[4-(azetidin-2-ylmethoxy)-2,6-difluorophenyl]-1H-pyrazol-3-yl]-1-methylpyrazole
SMILESCn1cc(-c2cc(-c3c(F)cc(OCC4CCN4)cc3F)[nH]n2)cn1
InChIInChI=1S/C17H17F2N5O/c1-24-8-10(7-21-24)15-6-16(23-22-15)17-13(18)4-12(5-14(17)19)25-9-11-2-3-20-11/h4-8,11,20H,2-3,9H2,1H3,(H,22,23)
InChIKeySTQHPHMAYXKBJM-UHFFFAOYSA-N
XLogP2.50
TPSA67.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[5-[4-(azetidin-2-ylmethoxy)-2,6-difluorophenyl]-1H-pyrazol-3-yl]-1-methylpyrazole with MolForge

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Related Compounds

1-methyl-4-[3-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]pyrazole
CID 91112359
2-chloro-N-[3-chloro-5-fluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazol-5-yl]phenyl]acetamide
CID 175348038
5-[[(2R)-azetidin-2-yl]methoxy]-2-methylpyridin-3-amine
CID 54387024
5-[2-fluoro-4-pyrrolidin-2-yl-6-(trifluoromethyl)phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 134328000
4-[(1-methylpyrazol-4-yl)oxymethyl]piperidine
CID 114608454
5-[[(2R)-azetidin-2-yl]methoxy]-3-bromo-2-methoxypyridine
CID 142643453
methyl 3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxylate
CID 86207960
5-fluoro-7-(methoxymethoxy)-4-(1-methylpyrazol-4-yl)-1H-indazole
CID 165117231
[2-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazol-5-yl]phenyl]methanol
CID 175348065
[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl] morpholine-4-carboxylate
CID 134327781
2-(1-methylpyrazol-4-yl)-5-[(2R)-piperidin-2-yl]pyridine
CID 124641020
3-[[(2S)-azetidin-2-yl]methoxy]-5-(3-fluoropropyl)pyridine
CID 123202222

Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-(azetidin-2-ylmethoxy)-2,6-difluorophenyl]-1H-pyrazol-3-yl]-1-methylpyrazole?
The IUPAC name of 4-[5-[4-(azetidin-2-ylmethoxy)-2,6-difluorophenyl]-1H-pyrazol-3-yl]-1-methylpyrazole (CID 134329162) is 4-[5-[4-(azetidin-2-ylmethoxy)-2,6-difluorophenyl]-1H-pyrazol-3-yl]-1-methylpyrazole.
What is the SMILES notation for 4-[5-[4-(azetidin-2-ylmethoxy)-2,6-difluorophenyl]-1H-pyrazol-3-yl]-1-methylpyrazole?
The canonical SMILES for 4-[5-[4-(azetidin-2-ylmethoxy)-2,6-difluorophenyl]-1H-pyrazol-3-yl]-1-methylpyrazole is Cn1cc(-c2cc(-c3c(F)cc(OCC4CCN4)cc3F)[nH]n2)cn1.
What is the InChIKey of 4-[5-[4-(azetidin-2-ylmethoxy)-2,6-difluorophenyl]-1H-pyrazol-3-yl]-1-methylpyrazole?
The InChIKey is STQHPHMAYXKBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N5O/c1-24-8-10(7-21-24)15-6-16(23-22-15)17-13(18)4-12(5-14(17)19)25-9-11-2-3-20-11/h4-8,11,20H,2-3,9H2,1H3,(H,22,23).
What are the key properties of 4-[5-[4-(azetidin-2-ylmethoxy)-2,6-difluorophenyl]-1H-pyrazol-3-yl]-1-methylpyrazole?
4-[5-[4-(azetidin-2-ylmethoxy)-2,6-difluorophenyl]-1H-pyrazol-3-yl]-1-methylpyrazole has a molecular weight of 345.35 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-(azetidin-2-ylmethoxy)-2,6-difluorophenyl]-1H-pyrazol-3-yl]-1-methylpyrazole is sourced from PubChem (CID 134329162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).