1-(2-fluorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-5-pyrrol-1-ylpyrazole-4-carboxamide

C24H22FN5O3 — CID 31840381

IUPAC1-(2-fluorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccoc2)CC1)c1cnn(-c2ccccc2F)c1-n1cccc1
InChIInChI=1S/C24H22FN5O3/c25-20-5-1-2-6-21(20)30-23(28-10-3-4-11-28)19(15-26-30)22(31)27-18-7-12-29(13-8-18)24(32)17-9-14-33-16-17/h1-6,9-11,14-16,18H,7-8,12-13H2,(H,27,31)
InChIKeyZITGTHLEGZFOIK-UHFFFAOYSA-N
MW447.47 g/mol
LogP3.43
Rot. Bonds5

About 1-(2-fluorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-5-pyrrol-1-ylpyrazole-4-carboxamide

1-(2-fluorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 31840381) has the molecular formula C24H22FN5O3 and a molecular weight of 447.47 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID31840381
Molecular FormulaC24H22FN5O3
Molecular Weight447.47 g/mol
Exact Mass447.17
IUPAC Name1-(2-fluorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccoc2)CC1)c1cnn(-c2ccccc2F)c1-n1cccc1
InChIInChI=1S/C24H22FN5O3/c25-20-5-1-2-6-21(20)30-23(28-10-3-4-11-28)19(15-26-30)22(31)27-18-7-12-29(13-8-18)24(32)17-9-14-33-16-17/h1-6,9-11,14-16,18H,7-8,12-13H2,(H,27,31)
InChIKeyZITGTHLEGZFOIK-UHFFFAOYSA-N
XLogP3.43
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 132036118
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1-[1-(4-Fluorophenyl)-5-(1H-pyrrol-1-YL)-1H-pyrazole-4-carbonyl]-4-(furan-2-carbonyl)piperazine
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CID 47035530
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CID 134797828
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CID 134797998
N-[(3,4-difluorophenyl)methyl]-3-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134799166
1-(Furan-3-carbonyl)-N-{[1,2,4]triazolo[1,5-A]pyridin-8-YL}piperidin-4-amine
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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 31840381) is 1-(2-fluorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-5-pyrrol-1-ylpyrazole-4-carboxamide is O=C(NC1CCN(C(=O)c2ccoc2)CC1)c1cnn(-c2ccccc2F)c1-n1cccc1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is ZITGTHLEGZFOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O3/c25-20-5-1-2-6-21(20)30-23(28-10-3-4-11-28)19(15-26-30)22(31)27-18-7-12-29(13-8-18)24(32)17-9-14-33-16-17/h1-6,9-11,14-16,18H,7-8,12-13H2,(H,27,31).
What are the key properties of 1-(2-fluorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-5-pyrrol-1-ylpyrazole-4-carboxamide?
1-(2-fluorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 447.47 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 31840381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).