1-(2-fluorophenyl)-4-hydroxy-N-[(2-methyloxolan-2-yl)methyl]pyrazole-3-carboxamide

C16H18FN3O3 — CID 126786836

IUPAC1-(2-fluorophenyl)-4-hydroxy-N-[(2-methyloxolan-2-yl)methyl]pyrazole-3-carboxamide
SMILESCC1(CNC(=O)c2nn(-c3ccccc3F)cc2O)CCCO1
InChIInChI=1S/C16H18FN3O3/c1-16(7-4-8-23-16)10-18-15(22)14-13(21)9-20(19-14)12-6-3-2-5-11(12)17/h2-3,5-6,9,21H,4,7-8,10H2,1H3,(H,18,22)
InChIKeyBDHGNXWLUXHJPO-UHFFFAOYSA-N
MW319.34 g/mol
LogP2.02
Rot. Bonds4

About 1-(2-fluorophenyl)-4-hydroxy-N-[(2-methyloxolan-2-yl)methyl]pyrazole-3-carboxamide

1-(2-fluorophenyl)-4-hydroxy-N-[(2-methyloxolan-2-yl)methyl]pyrazole-3-carboxamide (PubChem CID 126786836) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-hydroxy-N-[(2-methyloxolan-2-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-hydroxy-N-[(2-methyloxolan-2-yl)methyl]pyrazole-3-carboxamide
PubChem CID126786836
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC Name1-(2-fluorophenyl)-4-hydroxy-N-[(2-methyloxolan-2-yl)methyl]pyrazole-3-carboxamide
SMILESCC1(CNC(=O)c2nn(-c3ccccc3F)cc2O)CCCO1
InChIInChI=1S/C16H18FN3O3/c1-16(7-4-8-23-16)10-18-15(22)14-13(21)9-20(19-14)12-6-3-2-5-11(12)17/h2-3,5-6,9,21H,4,7-8,10H2,1H3,(H,18,22)
InChIKeyBDHGNXWLUXHJPO-UHFFFAOYSA-N
XLogP2.02
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluorophenyl)-4-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]pyrazole-3-carboxamide
CID 126779381
1-(2-fluorophenyl)-4-hydroxy-N-[(1R,2R)-2-methylcyclopropyl]pyrazole-3-carboxamide
CID 166249034
3-(4-fluorophenyl)-N-[(2-methyloxolan-2-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 171925666
1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(1-hydroxycyclopentyl)methyl]pyrazole-3-carboxamide
CID 111911950
2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[(2-methyloxolan-2-yl)methyl]benzamide
CID 46992861
5-bromo-2-hydroxy-N-[(2-methyloxolan-2-yl)methyl]benzamide
CID 103747166
2-[2-(aminomethyl)phenyl]-N-[(2-methyloxolan-2-yl)methyl]acetamide
CID 81321967
N-[(2-methyloxolan-2-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 138034726
2-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-[(2-methyloxolan-2-yl)methyl]acetamide
CID 110090746
2,6-dichloro-N-[(2-methyloxolan-2-yl)methyl]pyridine-3-carboxamide
CID 103747169
N-[4-[(2-methyloxolan-2-yl)methylcarbamoyl]phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 71573238
1-(2,3-dihydro-1H-inden-2-yl)-3-[[(2R)-2-methyloxolan-2-yl]methyl]urea
CID 124618765

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-hydroxy-N-[(2-methyloxolan-2-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-4-hydroxy-N-[(2-methyloxolan-2-yl)methyl]pyrazole-3-carboxamide (CID 126786836) is 1-(2-fluorophenyl)-4-hydroxy-N-[(2-methyloxolan-2-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-4-hydroxy-N-[(2-methyloxolan-2-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-4-hydroxy-N-[(2-methyloxolan-2-yl)methyl]pyrazole-3-carboxamide is CC1(CNC(=O)c2nn(-c3ccccc3F)cc2O)CCCO1.
What is the InChIKey of 1-(2-fluorophenyl)-4-hydroxy-N-[(2-methyloxolan-2-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is BDHGNXWLUXHJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3/c1-16(7-4-8-23-16)10-18-15(22)14-13(21)9-20(19-14)12-6-3-2-5-11(12)17/h2-3,5-6,9,21H,4,7-8,10H2,1H3,(H,18,22).
What are the key properties of 1-(2-fluorophenyl)-4-hydroxy-N-[(2-methyloxolan-2-yl)methyl]pyrazole-3-carboxamide?
1-(2-fluorophenyl)-4-hydroxy-N-[(2-methyloxolan-2-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 319.34 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-hydroxy-N-[(2-methyloxolan-2-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 126786836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).