N-(2-fluorophenyl)-5-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide

C20H19FN4O2S — CID 91628906

IUPACN-(2-fluorophenyl)-5-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1F)c1cc(C2CCN(C(=O)c3cccs3)CC2)[nH]n1
InChIInChI=1S/C20H19FN4O2S/c21-14-4-1-2-5-15(14)22-19(26)17-12-16(23-24-17)13-7-9-25(10-8-13)20(27)18-6-3-11-28-18/h1-6,11-13H,7-10H2,(H,22,26)(H,23,24)
InChIKeyULSIAJMUKCBABI-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.88
Rot. Bonds4

About N-(2-fluorophenyl)-5-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide

N-(2-fluorophenyl)-5-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide (PubChem CID 91628906) has the molecular formula C20H19FN4O2S and a molecular weight of 398.46 g/mol. Its IUPAC name is N-(2-fluorophenyl)-5-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-5-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide
PubChem CID91628906
Molecular FormulaC20H19FN4O2S
Molecular Weight398.46 g/mol
Exact Mass398.12
IUPAC NameN-(2-fluorophenyl)-5-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1F)c1cc(C2CCN(C(=O)c3cccs3)CC2)[nH]n1
InChIInChI=1S/C20H19FN4O2S/c21-14-4-1-2-5-15(14)22-19(26)17-12-16(23-24-17)13-7-9-25(10-8-13)20(27)18-6-3-11-28-18/h1-6,11-13H,7-10H2,(H,22,26)(H,23,24)
InChIKeyULSIAJMUKCBABI-UHFFFAOYSA-N
XLogP3.88
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrazole scaffold, 7b
CID 25218474
Pyrazole scaffold, 7c
CID 25218475
11-Bromo-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-8,10-dithia-3,4-diazatricyclo[7.3.0.0,6]dodeca-1(9),2,5,11-tetraene (7c)
CID 78427626
N-[(3R)-1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
CID 168294671
2-(benzylamino)-6-(5-methyl-1H-pyrazole-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 118735958
2-[(4-fluorophenyl)methylamino]-6-(5-methyl-1H-pyrazole-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 118735961
N-[2-[6-oxo-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]phenyl]acetamide
CID 58365242
N-methyl-2-[6-oxo-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]benzamide
CID 58365249
[2-[6-Oxo-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]phenyl]urea
CID 58365361
4-(2-Aminophenyl)-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58365457
N,N-dimethyl-2-[6-oxo-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]benzamide
CID 58365482
4-[2-[(Dimethylamino)methyl]phenyl]-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58365815

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-5-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-5-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide (CID 91628906) is N-(2-fluorophenyl)-5-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-5-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-5-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide is O=C(Nc1ccccc1F)c1cc(C2CCN(C(=O)c3cccs3)CC2)[nH]n1.
What is the InChIKey of N-(2-fluorophenyl)-5-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is ULSIAJMUKCBABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2S/c21-14-4-1-2-5-15(14)22-19(26)17-12-16(23-24-17)13-7-9-25(10-8-13)20(27)18-6-3-11-28-18/h1-6,11-13H,7-10H2,(H,22,26)(H,23,24).
What are the key properties of N-(2-fluorophenyl)-5-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide?
N-(2-fluorophenyl)-5-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 398.46 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-5-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 91628906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).