N-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide

C12H17F3N4O — CID 71994414

IUPACN-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESCCn1cc(NC(=O)N2CCC(C(F)(F)F)CC2)cn1
InChIInChI=1S/C12H17F3N4O/c1-2-19-8-10(7-16-19)17-11(20)18-5-3-9(4-6-18)12(13,14)15/h7-9H,2-6H2,1H3,(H,17,20)
InChIKeySIVDVWPIMVEPBX-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.71
Rot. Bonds2

About N-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide

N-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 71994414) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID71994414
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC NameN-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESCCn1cc(NC(=O)N2CCC(C(F)(F)F)CC2)cn1
InChIInChI=1S/C12H17F3N4O/c1-2-19-8-10(7-16-19)17-11(20)18-5-3-9(4-6-18)12(13,14)15/h7-9H,2-6H2,1H3,(H,17,20)
InChIKeySIVDVWPIMVEPBX-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-ethylpyrazol-4-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63123727
2-(1-acetylpiperidin-4-yl)-N-(1-ethylpyrazol-4-yl)acetamide
CID 92631853
1-(1-acetylpiperidin-4-yl)-3-(1-ethylpyrazol-4-yl)urea
CID 47200172
N-(1-ethylpyrazol-4-yl)-3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide
CID 71994452
2-[4-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 63162069
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-7-methyl-1,1-dioxo-1,4-thiazepane-4-carboxamide
CID 146076168
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide
CID 71984828
2-[4-[(4,4-dimethylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 62931716
N-(1-propylpyrazol-4-yl)-4-(triazol-1-ylmethyl)piperidine-1-carboxamide
CID 126773265
1-ethyl-3-(1-ethylpyrazol-4-yl)urea
CID 115581870
1-cycloheptyl-3-(1-ethylpyrazol-4-yl)urea
CID 47200421
3-[1-[(1-ethylpyrazol-4-yl)carbamoyl]piperidin-2-yl]propanoic acid
CID 62217947

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide (CID 71994414) is N-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide is CCn1cc(NC(=O)N2CCC(C(F)(F)F)CC2)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is SIVDVWPIMVEPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-2-19-8-10(7-16-19)17-11(20)18-5-3-9(4-6-18)12(13,14)15/h7-9H,2-6H2,1H3,(H,17,20).
What are the key properties of N-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide?
N-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 290.29 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 71994414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).