N-(2-fluoro-4-hydroxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

C14H14FN3O2 — CID 86787157

IUPACN-(2-fluoro-4-hydroxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(O)cc1F)c1cnn2c1CCCC2
InChIInChI=1S/C14H14FN3O2/c15-11-7-9(19)4-5-12(11)17-14(20)10-8-16-18-6-2-1-3-13(10)18/h4-5,7-8,19H,1-3,6H2,(H,17,20)
InChIKeyCCFIXKNJVQTBSJ-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.32
Rot. Bonds2

About N-(2-fluoro-4-hydroxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

N-(2-fluoro-4-hydroxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 86787157) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is N-(2-fluoro-4-hydroxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-4-hydroxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID86787157
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC NameN-(2-fluoro-4-hydroxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(O)cc1F)c1cnn2c1CCCC2
InChIInChI=1S/C14H14FN3O2/c15-11-7-9(19)4-5-12(11)17-14(20)10-8-16-18-6-2-1-3-13(10)18/h4-5,7-8,19H,1-3,6H2,(H,17,20)
InChIKeyCCFIXKNJVQTBSJ-UHFFFAOYSA-N
XLogP2.32
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-difluorophenyl)-2-fluoro-4-hydroxybenzamide
CID 103941207
2-methyl-2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)phenyl]propanoic acid
CID 120528669
2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)phenoxy]acetic acid
CID 120537229
N-(5-propan-2-yl-3-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 136567129
N-[3-(3-fluoroanilino)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 75520895
2-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)propanoic acid
CID 120525619
N-[(1R,2S)-1-(2,6-difluorophenyl)-1-hydroxybutan-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 124883388
1-amino-3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carbonylamino)urea
CID 155182788
1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)cyclobutane-1-carboxylic acid
CID 120530814
5-bromo-2-fluoro-N-(2-fluoro-4-hydroxyphenyl)benzamide
CID 64793128
5-chloro-N-(2-fluoro-4-hydroxyphenyl)-2-hydroxybenzamide
CID 64793866
5-fluoro-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674704

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-hydroxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-(2-fluoro-4-hydroxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (CID 86787157) is N-(2-fluoro-4-hydroxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-fluoro-4-hydroxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-(2-fluoro-4-hydroxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is O=C(Nc1ccc(O)cc1F)c1cnn2c1CCCC2.
What is the InChIKey of N-(2-fluoro-4-hydroxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is CCFIXKNJVQTBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c15-11-7-9(19)4-5-12(11)17-14(20)10-8-16-18-6-2-1-3-13(10)18/h4-5,7-8,19H,1-3,6H2,(H,17,20).
What are the key properties of N-(2-fluoro-4-hydroxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
N-(2-fluoro-4-hydroxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 275.28 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-hydroxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 86787157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).