N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C19H23F3N4O — CID 47055020

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCc1cc(C)n(-c2ccccc2NC(=O)C2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C19H23F3N4O/c1-13-11-14(2)26(24-13)17-6-4-3-5-16(17)23-18(27)15-7-9-25(10-8-15)12-19(20,21)22/h3-6,11,15H,7-10,12H2,1-2H3,(H,23,27)
InChIKeyNIKLQPUJYAWUNC-UHFFFAOYSA-N
MW380.41 g/mol
LogP3.70
Rot. Bonds4

About N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 47055020) has the molecular formula C19H23F3N4O and a molecular weight of 380.41 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID47055020
Molecular FormulaC19H23F3N4O
Molecular Weight380.41 g/mol
Exact Mass380.18
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCc1cc(C)n(-c2ccccc2NC(=O)C2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C19H23F3N4O/c1-13-11-14(2)26(24-13)17-6-4-3-5-16(17)23-18(27)15-7-9-25(10-8-15)12-19(20,21)22/h3-6,11,15H,7-10,12H2,1-2H3,(H,23,27)
InChIKeyNIKLQPUJYAWUNC-UHFFFAOYSA-N
XLogP3.70
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 119286230
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 55635603
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3,3-dimethylbutanamide
CID 43074025
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 43074055
(2S)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111104605
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide
CID 90514251
tert-butyl 4-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoyl]piperazine-1-carboxylate
CID 47033792
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
CID 47025805
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide
CID 90514318
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-hydroxyphenyl)acetamide
CID 52847994
3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea
CID 111754558
3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109396961

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 47055020) is N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is Cc1cc(C)n(-c2ccccc2NC(=O)C2CCN(CC(F)(F)F)CC2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is NIKLQPUJYAWUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O/c1-13-11-14(2)26(24-13)17-6-4-3-5-16(17)23-18(27)15-7-9-25(10-8-15)12-19(20,21)22/h3-6,11,15H,7-10,12H2,1-2H3,(H,23,27).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 380.41 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 47055020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).