1-(4-fluorophenyl)-N-(3-hydroxypropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide

C17H17FN4O2 — CID 78854516

IUPAC1-(4-fluorophenyl)-N-(3-hydroxypropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESO=C(NCCCO)c1cnn(-c2ccc(F)cc2)c1-n1cccc1
InChIInChI=1S/C17H17FN4O2/c18-13-4-6-14(7-5-13)22-17(21-9-1-2-10-21)15(12-20-22)16(24)19-8-3-11-23/h1-2,4-7,9-10,12,23H,3,8,11H2,(H,19,24)
InChIKeySMKQDYKYHWKLHB-UHFFFAOYSA-N
MW328.35 g/mol
LogP1.91
Rot. Bonds6

About 1-(4-fluorophenyl)-N-(3-hydroxypropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide

1-(4-fluorophenyl)-N-(3-hydroxypropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 78854516) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(3-hydroxypropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(3-hydroxypropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID78854516
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC Name1-(4-fluorophenyl)-N-(3-hydroxypropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESO=C(NCCCO)c1cnn(-c2ccc(F)cc2)c1-n1cccc1
InChIInChI=1S/C17H17FN4O2/c18-13-4-6-14(7-5-13)22-17(21-9-1-2-10-21)15(12-20-22)16(24)19-8-3-11-23/h1-2,4-7,9-10,12,23H,3,8,11H2,(H,19,24)
InChIKeySMKQDYKYHWKLHB-UHFFFAOYSA-N
XLogP1.91
TPSA72.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbohydrazide
CID 2767863
5-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449339
5-[[1-(2-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-(3-hydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449706
5-[[1-(3-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-(3-hydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449715
5-[[1-(2-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-[(2R)-3-hydroxy-2-methylpropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449765
5-[[1-(2-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-[(2S)-3-hydroxy-2-methylpropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449766
5-[[1-(3-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-[(2R)-3-hydroxy-2-methylpropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137450309
5-[[1-(3-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-[(2S)-3-hydroxy-2-methylpropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137450311
1H-Pyrazole-4-carboxylic acid, 1-phenyl-5-(1H-pyrrol-1-yl)-
CID 2765904
N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide
CID 16011935
N-(2-Methylphenyl)-1-[1-phenyl-5-(1H-pyrrol-1-YL)-1H-pyrazole-4-carbonyl]piperidine-4-carboxamide
CID 16011963
N-(2,5-Difluorophenyl)-1-[1-phenyl-5-(1H-pyrrol-1-YL)-1H-pyrazole-4-carbonyl]piperidine-4-carboxamide
CID 16012000

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(3-hydroxypropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(3-hydroxypropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 78854516) is 1-(4-fluorophenyl)-N-(3-hydroxypropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(3-hydroxypropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(3-hydroxypropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is O=C(NCCCO)c1cnn(-c2ccc(F)cc2)c1-n1cccc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(3-hydroxypropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is SMKQDYKYHWKLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2/c18-13-4-6-14(7-5-13)22-17(21-9-1-2-10-21)15(12-20-22)16(24)19-8-3-11-23/h1-2,4-7,9-10,12,23H,3,8,11H2,(H,19,24).
What are the key properties of 1-(4-fluorophenyl)-N-(3-hydroxypropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
1-(4-fluorophenyl)-N-(3-hydroxypropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 328.35 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(3-hydroxypropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 78854516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).