N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide

C11H15F3N4O — CID 138992293

IUPACN-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CCN(CC(F)(F)F)CC1)c1cn[nH]c1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)7-18-3-1-9(2-4-18)17-10(19)8-5-15-16-6-8/h5-6,9H,1-4,7H2,(H,15,16)(H,17,19)
InChIKeyCOWYONLWSFVONV-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.17
Rot. Bonds3

About N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide

N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide (PubChem CID 138992293) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide
PubChem CID138992293
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC NameN-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CCN(CC(F)(F)F)CC1)c1cn[nH]c1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)7-18-3-1-9(2-4-18)17-10(19)8-5-15-16-6-8/h5-6,9H,1-4,7H2,(H,15,16)(H,17,19)
InChIKeyCOWYONLWSFVONV-UHFFFAOYSA-N
XLogP1.17
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1H-pyrazole-4-carbonyl)piperidin-4-amine
CID 43565570
1-{3-[(1H-pyrazol-4-ylcarbonyl)amino]propyl}piperidine-4-carboxamide
CID 91834090
N-(4,4-difluorocyclohexyl)-1H-pyrazole-4-carboxamide
CID 122160170
N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-1H-pyrazole-4-carboxamide
CID 125526617
N-(3,3-difluorocyclobutyl)-1H-pyrazole-4-carboxamide
CID 126776789
[(3S)-3-propyl-4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 164631489
N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 43582804
1-(1H-pyrazole-4-carbonyl)-4-(trifluoromethyl)piperidine
CID 65532420
N-(difluoromethyl)-1H-pyrazole-4-carboxamide
CID 66726653
N-(2,2-difluoroethyl)-1H-pyrazole-4-carboxamide
CID 79078834
4-fluoro-4-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylic acid
CID 90783148
N-(trifluoromethyl)-N-(1,1,1-trifluoropropan-2-yl)-1H-pyrazole-4-carboxamide
CID 90898393

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide (CID 138992293) is N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide is O=C(NC1CCN(CC(F)(F)F)CC1)c1cn[nH]c1.
What is the InChIKey of N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is COWYONLWSFVONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c12-11(13,14)7-18-3-1-9(2-4-18)17-10(19)8-5-15-16-6-8/h5-6,9H,1-4,7H2,(H,15,16)(H,17,19).
What are the key properties of N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide?
N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 276.26 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 138992293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).