N-[2-[3-(3-fluorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide

C17H21FN4O — CID 155518732

IUPACN-[2-[3-(3-fluorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
SMILESO=C(NCCn1ccc(-c2cccc(F)c2)n1)N1CCCCC1
InChIInChI=1S/C17H21FN4O/c18-15-6-4-5-14(13-15)16-7-11-22(20-16)12-8-19-17(23)21-9-2-1-3-10-21/h4-7,11,13H,1-3,8-10,12H2,(H,19,23)
InChIKeyFQPNCKGGOWCYJI-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.88
Rot. Bonds4

About N-[2-[3-(3-fluorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide

N-[2-[3-(3-fluorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide (PubChem CID 155518732) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[2-[3-(3-fluorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(3-fluorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
PubChem CID155518732
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC NameN-[2-[3-(3-fluorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
SMILESO=C(NCCn1ccc(-c2cccc(F)c2)n1)N1CCCCC1
InChIInChI=1S/C17H21FN4O/c18-15-6-4-5-14(13-15)16-7-11-22(20-16)12-8-19-17(23)21-9-2-1-3-10-21/h4-7,11,13H,1-3,8-10,12H2,(H,19,23)
InChIKeyFQPNCKGGOWCYJI-UHFFFAOYSA-N
XLogP2.88
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-{4-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]pyridin-2-Yl}-N-Methylmethanamine
CID 71710904
1-[3,5-di(pyrazol-1-yl)phenyl]-3-[(2R)-4-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-yl]urea
CID 44455846
N-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-N'-[4-(trifluoromethyl)phenyl]urea
CID 2807796
N-(4-fluorophenyl)-1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]-3-piperidinamine
CID 24819297
5-[4-(4-methylpiperazino)phenyl]-N-phenyl-1H-pyrazole-1-carboxamide
CID 4264966
N-cyano-N'-(2-methylphenyl)-4-[2-(3-methylpyrazol-1-yl)acetyl]-3-phenylpiperazine-1-carboximidamide
CID 44455378
N-cyano-N'-(2-methylphenyl)-4-[2-(5-methylpyrazol-1-yl)acetyl]-3-phenylpiperazine-1-carboximidamide
CID 44455380
1-[3,5-di(pyrazol-1-yl)phenyl]-3-[3-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea
CID 44455847
1-(2,4-difluorophenyl)-3-[(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl]urea
CID 44589665
N-[2-(3-phenylpyrazol-1-yl)propyl]piperidine-1-carboxamide
CID 118514522
N-[1-(3-phenylpyrazol-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 118514528
N-[2-(3-phenylpyrazol-1-yl)ethyl]piperidine-1-carboxamide
CID 118524339

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3-fluorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide?
The IUPAC name of N-[2-[3-(3-fluorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide (CID 155518732) is N-[2-[3-(3-fluorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[2-[3-(3-fluorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-[2-[3-(3-fluorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide is O=C(NCCn1ccc(-c2cccc(F)c2)n1)N1CCCCC1.
What is the InChIKey of N-[2-[3-(3-fluorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide?
The InChIKey is FQPNCKGGOWCYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c18-15-6-4-5-14(13-15)16-7-11-22(20-16)12-8-19-17(23)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 N-[2-[3-(3-fluorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide?
N-[2-[3-(3-fluorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3-fluorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 155518732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).