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

C12H17F3N4O — CID 118740652

IUPACN-ethyl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C12H17F3N4O/c1-2-16-11(20)18-6-3-9(4-7-18)19-8-5-10(17-19)12(13,14)15/h5,8-9H,2-4,6-7H2,1H3,(H,16,20)
InChIKeyRWFUXRHQKSFYDB-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.27
Rot. Bonds2

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

N-ethyl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide (PubChem CID 118740652) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is N-ethyl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
PubChem CID118740652
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC NameN-ethyl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C12H17F3N4O/c1-2-16-11(20)18-6-3-9(4-7-18)19-8-5-10(17-19)12(13,14)15/h5,8-9H,2-4,6-7H2,1H3,(H,16,20)
InChIKeyRWFUXRHQKSFYDB-UHFFFAOYSA-N
XLogP2.27
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(trifluoromethyl)-1H-pyrazol-1-yl]pentan-1-amine
CID 19616726
1-Cyclohexyl-3-[(2-ethylpyrazol-3-yl)methyl]urea
CID 17270110
4-ethyl-2-[2-(3-methyl-1H-pyrazol-1-yl)ethyl]-5-(4-piperidinyl)-2,4-dihydro-3H-1,2,4-triazol-3-one dihydrochloride
CID 50979020
N-propan-2-yl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 75448503
N-(4-methoxybutan-2-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 75448561
N-(2,2-difluoroethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 75448682
N-(1-methoxybutan-2-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 75448733
N-(3-fluoropropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 75448755
N-(2-methoxy-2-methylpropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 84597978
3-(3-(trifluoromethyl)-1H-pyrazol-1-yl)piperidine
CID 61632463
N-hexyl-3-(trifluoromethyl)pyrazole-1-carboxamide
CID 132597454
4-ethyl-2-[2-(3-methyl-1H-pyrazol-1-yl)ethyl]-5-(3-piperidinyl)-2,4-dihydro-3H-1,2,4-triazol-3-one dihydrochloride
CID 56705252

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
The IUPAC name of N-ethyl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide (CID 118740652) is N-ethyl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
The canonical SMILES for N-ethyl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide is CCNC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1.
What is the InChIKey of N-ethyl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
The InChIKey is RWFUXRHQKSFYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-2-16-11(20)18-6-3-9(4-7-18)19-8-5-10(17-19)12(13,14)15/h5,8-9H,2-4,6-7H2,1H3,(H,16,20).
What are the key properties of N-ethyl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
N-ethyl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide has a molecular weight of 290.29 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide is sourced from PubChem (CID 118740652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).