N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]piperidine-4-carboxamide

C17H21FN4O — CID 119336460

IUPACN-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]piperidine-4-carboxamide
SMILESO=C(NCCc1ccn(-c2ccc(F)cc2)n1)C1CCNCC1
InChIInChI=1S/C17H21FN4O/c18-14-1-3-16(4-2-14)22-12-8-15(21-22)7-11-20-17(23)13-5-9-19-10-6-13/h1-4,8,12-13,19H,5-7,9-11H2,(H,20,23)
InChIKeyFZJOPFDRPORUHN-UHFFFAOYSA-N
MW316.38 g/mol
LogP1.67
Rot. Bonds5

About N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]piperidine-4-carboxamide

N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]piperidine-4-carboxamide (PubChem CID 119336460) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]piperidine-4-carboxamide
PubChem CID119336460
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC NameN-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]piperidine-4-carboxamide
SMILESO=C(NCCc1ccn(-c2ccc(F)cc2)n1)C1CCNCC1
InChIInChI=1S/C17H21FN4O/c18-14-1-3-16(4-2-14)22-12-8-15(21-22)7-11-20-17(23)13-5-9-19-10-6-13/h1-4,8,12-13,19H,5-7,9-11H2,(H,20,23)
InChIKeyFZJOPFDRPORUHN-UHFFFAOYSA-N
XLogP1.67
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119806208
N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 16769811
(2S)-2-cyclopropyl-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-pyrrolidin-1-ylacetamide
CID 97306222
(2R,3S)-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120935409
N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119263949
(2R)-2-amino-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]propanamide
CID 119336468
methyl 1-[N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111513475
2-amino-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-methylpentanamide;hydrochloride
CID 119806251
2-fluoro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-4-methylbenzamide
CID 146128415
N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide
CID 46103850
N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 146132786
1-cyclopentyl-3-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-methylguanidine;hydroiodide
CID 111495773

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]piperidine-4-carboxamide (CID 119336460) is N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]piperidine-4-carboxamide is O=C(NCCc1ccn(-c2ccc(F)cc2)n1)C1CCNCC1.
What is the InChIKey of N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]piperidine-4-carboxamide?
The InChIKey is FZJOPFDRPORUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c18-14-1-3-16(4-2-14)22-12-8-15(21-22)7-11-20-17(23)13-5-9-19-10-6-13/h1-4,8,12-13,19H,5-7,9-11H2,(H,20,23).
What are the key properties of N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]piperidine-4-carboxamide?
N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]piperidine-4-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 119336460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).