N-[2-(1-methylpyrazol-3-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide

C13H19F3N4O — CID 106105238

IUPACN-[2-(1-methylpyrazol-3-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESCn1ccc(CCNC(=O)C2CCC(C(F)(F)F)CN2)n1
InChIInChI=1S/C13H19F3N4O/c1-20-7-5-10(19-20)4-6-17-12(21)11-3-2-9(8-18-11)13(14,15)16/h5,7,9,11,18H,2-4,6,8H2,1H3,(H,17,21)
InChIKeyDUFMTUAJYSRENV-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.01
Rot. Bonds4

About N-[2-(1-methylpyrazol-3-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide

N-[2-(1-methylpyrazol-3-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide (PubChem CID 106105238) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is N-[2-(1-methylpyrazol-3-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylpyrazol-3-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide
PubChem CID106105238
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC NameN-[2-(1-methylpyrazol-3-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESCn1ccc(CCNC(=O)C2CCC(C(F)(F)F)CN2)n1
InChIInChI=1S/C13H19F3N4O/c1-20-7-5-10(19-20)4-6-17-12(21)11-3-2-9(8-18-11)13(14,15)16/h5,7,9,11,18H,2-4,6,8H2,1H3,(H,17,21)
InChIKeyDUFMTUAJYSRENV-UHFFFAOYSA-N
XLogP1.01
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide
CID 106303214
cis-(1S,2R)-2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 106104131
N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908570
4-(aminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 106104900
4-methyl-2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106104133
(1S,6R)-6-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 106104130
N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908525
N-(2,2,3,3-tetrafluoropropyl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 106293083
N-[(1-methylpyrazol-3-yl)methyl]azepane-2-carboxamide
CID 82873870
N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 106105003
N-[2-(1-methylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106105031
4-amino-4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pentanamide
CID 114143984

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrazol-3-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide?
The IUPAC name of N-[2-(1-methylpyrazol-3-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide (CID 106105238) is N-[2-(1-methylpyrazol-3-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide.
What is the SMILES notation for N-[2-(1-methylpyrazol-3-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide?
The canonical SMILES for N-[2-(1-methylpyrazol-3-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide is Cn1ccc(CCNC(=O)C2CCC(C(F)(F)F)CN2)n1.
What is the InChIKey of N-[2-(1-methylpyrazol-3-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide?
The InChIKey is DUFMTUAJYSRENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-20-7-5-10(19-20)4-6-17-12(21)11-3-2-9(8-18-11)13(14,15)16/h5,7,9,11,18H,2-4,6,8H2,1H3,(H,17,21).
What are the key properties of N-[2-(1-methylpyrazol-3-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide?
N-[2-(1-methylpyrazol-3-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrazol-3-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide is sourced from PubChem (CID 106105238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).