N-(2-fluorophenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide

C13H12FN3O2 — CID 84577883

IUPACN-(2-fluorophenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1F)c1n[nH]c2c1COCC2
InChIInChI=1S/C13H12FN3O2/c14-9-3-1-2-4-11(9)15-13(18)12-8-7-19-6-5-10(8)16-17-12/h1-4H,5-7H2,(H,15,18)(H,16,17)
InChIKeyYQOYEUNIEUBJNR-UHFFFAOYSA-N
MW261.26 g/mol
LogP1.87
Rot. Bonds2

About N-(2-fluorophenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide

N-(2-fluorophenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide (PubChem CID 84577883) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
PubChem CID84577883
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC NameN-(2-fluorophenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1F)c1n[nH]c2c1COCC2
InChIInChI=1S/C13H12FN3O2/c14-9-3-1-2-4-11(9)15-13(18)12-8-7-19-6-5-10(8)16-17-12/h1-4H,5-7H2,(H,15,18)(H,16,17)
InChIKeyYQOYEUNIEUBJNR-UHFFFAOYSA-N
XLogP1.87
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
CID 84578107
N-(3-acetylphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
CID 84578006
N-(2,5-dimethoxyphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
CID 84577881
N-(2-bromophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388942
N-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110423268
N-(4-methoxycyclohexyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
CID 163311601
N-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 82585352
1-(3-chloro-2,5-difluorophenyl)-3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)urea
CID 166349854
N-(3,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110428948
N-(2-fluorophenyl)-5-methyl-4,5-dihydro-1H-imidazole-2-carboxamide
CID 91902182
1-[3-(2,2-difluoroethyl)phenyl]-3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)urea
CID 166303044
N-(2-propan-2-yloxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 82585410

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide (CID 84577883) is N-(2-fluorophenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide is O=C(Nc1ccccc1F)c1n[nH]c2c1COCC2.
What is the InChIKey of N-(2-fluorophenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide?
The InChIKey is YQOYEUNIEUBJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2/c14-9-3-1-2-4-11(9)15-13(18)12-8-7-19-6-5-10(8)16-17-12/h1-4H,5-7H2,(H,15,18)(H,16,17).
What are the key properties of N-(2-fluorophenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide?
N-(2-fluorophenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide has a molecular weight of 261.26 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide is sourced from PubChem (CID 84577883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).