N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]piperidine-3-carboxamide

C16H17F3N4O — CID 167761264

IUPACN-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2cc(C(F)(F)F)[nH]n2)cc1)C1CCCNC1
InChIInChI=1S/C16H17F3N4O/c17-16(18,19)14-8-13(22-23-14)10-3-5-12(6-4-10)21-15(24)11-2-1-7-20-9-11/h3-6,8,11,20H,1-2,7,9H2,(H,21,24)(H,22,23)
InChIKeySAZVQQLTXYVWCQ-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.03
Rot. Bonds3

About N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]piperidine-3-carboxamide

N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]piperidine-3-carboxamide (PubChem CID 167761264) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]piperidine-3-carboxamide
PubChem CID167761264
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC NameN-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2cc(C(F)(F)F)[nH]n2)cc1)C1CCCNC1
InChIInChI=1S/C16H17F3N4O/c17-16(18,19)14-8-13(22-23-14)10-3-5-12(6-4-10)21-15(24)11-2-1-7-20-9-11/h3-6,8,11,20H,1-2,7,9H2,(H,21,24)(H,22,23)
InChIKeySAZVQQLTXYVWCQ-UHFFFAOYSA-N
XLogP3.03
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide
CID 119311516
N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide
CID 43713244
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperidine-3-carboxamide
CID 119314187
N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 166363089
(3R)-N-[4-bromo-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 81123334
(3R)-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]piperidine-3-carboxamide
CID 81118348
4-hydroxy-2,6-dioxo-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-1,3-diazinane-5-carboxamide
CID 155903294
2-(2-oxoazepan-4-yl)-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]acetamide
CID 167863574
N-[4-(1H-imidazol-2-yl)phenyl]piperidine-3-carboxamide
CID 110471952
N-(3-bromo-4-fluorophenyl)piperidine-3-carboxamide;hydrochloride
CID 119281108
N-(4-tert-butylsulfanylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119315518
N-[3-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119291452

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]piperidine-3-carboxamide?
The IUPAC name of N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]piperidine-3-carboxamide (CID 167761264) is N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]piperidine-3-carboxamide?
The canonical SMILES for N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]piperidine-3-carboxamide is O=C(Nc1ccc(-c2cc(C(F)(F)F)[nH]n2)cc1)C1CCCNC1.
What is the InChIKey of N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]piperidine-3-carboxamide?
The InChIKey is SAZVQQLTXYVWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O/c17-16(18,19)14-8-13(22-23-14)10-3-5-12(6-4-10)21-15(24)11-2-1-7-20-9-11/h3-6,8,11,20H,1-2,7,9H2,(H,21,24)(H,22,23).
What are the key properties of N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]piperidine-3-carboxamide?
N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]piperidine-3-carboxamide has a molecular weight of 338.33 g/mol, XLogP of 3.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 167761264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).