1-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide

C17H21FN4O — CID 47855978

IUPAC1-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide
SMILESO=C(NCCN1CCCCC1)c1ccn(-c2cccc(F)c2)n1
InChIInChI=1S/C17H21FN4O/c18-14-5-4-6-15(13-14)22-11-7-16(20-22)17(23)19-8-12-21-9-2-1-3-10-21/h4-7,11,13H,1-3,8-10,12H2,(H,19,23)
InChIKeyPDSFUGNLJDBSEE-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.23
Rot. Bonds5

About 1-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide

1-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide (PubChem CID 47855978) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide
PubChem CID47855978
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC Name1-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide
SMILESO=C(NCCN1CCCCC1)c1ccn(-c2cccc(F)c2)n1
InChIInChI=1S/C17H21FN4O/c18-14-5-4-6-15(13-14)22-11-7-16(20-22)17(23)19-8-12-21-9-2-1-3-10-21/h4-7,11,13H,1-3,8-10,12H2,(H,19,23)
InChIKeyPDSFUGNLJDBSEE-UHFFFAOYSA-N
XLogP2.23
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(cyclohexylamino)-3-oxopropyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide
CID 47894388
1-(4-fluorophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]pyrazole-3-carboxamide
CID 39515050
1-(3-chlorophenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazole-3-carboxamide
CID 55924272
1-(3-fluorophenyl)-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrazole-3-carboxamide
CID 47893685
6-fluoro-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
CID 115497621
1-(3-bromophenyl)-N-(3-piperazin-1-ylpropyl)pyrazole-3-carboxamide
CID 119394563
1-(3-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)pyrazole-3-carboxamide
CID 111480306
1-[1-(3-fluorophenyl)ethyl]-N-(2-pyrrolidin-1-ylethyl)triazole-4-carboxamide
CID 110218991
1-(3-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]pyrazole-3-carbohydrazide
CID 47879002
1-(3-fluorophenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyrazole-3-carboxamide
CID 47887090
[1-(3-fluorophenyl)pyrazol-3-yl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129428155
N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide
CID 47896374

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide (CID 47855978) is 1-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide is O=C(NCCN1CCCCC1)c1ccn(-c2cccc(F)c2)n1.
What is the InChIKey of 1-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide?
The InChIKey is PDSFUGNLJDBSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c18-14-5-4-6-15(13-14)22-11-7-16(20-22)17(23)19-8-12-21-9-2-1-3-10-21/h4-7,11,13H,1-3,8-10,12H2,(H,19,23).
What are the key properties of 1-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide?
1-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 47855978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).