3-cyclopropyl-N-[1-ethyl-4-(trifluoromethyl)piperidin-4-yl]-1-methylpyrazole-5-carboxamide

C16H23F3N4O — CID 138017574

IUPAC3-cyclopropyl-N-[1-ethyl-4-(trifluoromethyl)piperidin-4-yl]-1-methylpyrazole-5-carboxamide
SMILESCCN1CCC(NC(=O)c2cc(C3CC3)nn2C)(C(F)(F)F)CC1
InChIInChI=1S/C16H23F3N4O/c1-3-23-8-6-15(7-9-23,16(17,18)19)20-14(24)13-10-12(11-4-5-11)21-22(13)2/h10-11H,3-9H2,1-2H3,(H,20,24)
InChIKeyCAORTNRZZUCDOC-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.44
Rot. Bonds4

About 3-cyclopropyl-N-[1-ethyl-4-(trifluoromethyl)piperidin-4-yl]-1-methylpyrazole-5-carboxamide

3-cyclopropyl-N-[1-ethyl-4-(trifluoromethyl)piperidin-4-yl]-1-methylpyrazole-5-carboxamide (PubChem CID 138017574) has the molecular formula C16H23F3N4O and a molecular weight of 344.38 g/mol. Its IUPAC name is 3-cyclopropyl-N-[1-ethyl-4-(trifluoromethyl)piperidin-4-yl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[1-ethyl-4-(trifluoromethyl)piperidin-4-yl]-1-methylpyrazole-5-carboxamide
PubChem CID138017574
Molecular FormulaC16H23F3N4O
Molecular Weight344.38 g/mol
Exact Mass344.18
IUPAC Name3-cyclopropyl-N-[1-ethyl-4-(trifluoromethyl)piperidin-4-yl]-1-methylpyrazole-5-carboxamide
SMILESCCN1CCC(NC(=O)c2cc(C3CC3)nn2C)(C(F)(F)F)CC1
InChIInChI=1S/C16H23F3N4O/c1-3-23-8-6-15(7-9-23,16(17,18)19)20-14(24)13-10-12(11-4-5-11)21-22(13)2/h10-11H,3-9H2,1-2H3,(H,20,24)
InChIKeyCAORTNRZZUCDOC-UHFFFAOYSA-N
XLogP2.44
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,3-ditert-butyl-1-pentylpyrazole-5-carboxamide
CID 141747275
(2S)-N-[(2S)-3-[1-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-1-(methylamino)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide
CID 146672995
3-tert-butyl-N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4-methyl-1-oxopentan-2-yl]-1-methylpyrazole-5-carboxamide
CID 162660749
N,5-ditert-butyl-1-pentylpyrazole-3-carboxamide
CID 162668036
5-[2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide
CID 118433286
N-isopropyl-1'-[(1-methyl-3-propyl-1H-pyrazol-5-yl)carbonyl]-1,4'-bipiperidine-4-carboxamide
CID 16192070
N-[(2S)-3-[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-1-(methylamino)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide
CID 156014475
5-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide
CID 118433073
N-[[(1S,5R)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide
CID 126736716
3-tert-butyl-N-[[(1S,5R)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-methylpyrazole-5-carboxamide
CID 126736769
2-Cyclopropylpyrazolo[1,5-a]pyrazin-4-ol
CID 86276588
(3-Tert-butyl-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 2746450

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[1-ethyl-4-(trifluoromethyl)piperidin-4-yl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[1-ethyl-4-(trifluoromethyl)piperidin-4-yl]-1-methylpyrazole-5-carboxamide (CID 138017574) is 3-cyclopropyl-N-[1-ethyl-4-(trifluoromethyl)piperidin-4-yl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[1-ethyl-4-(trifluoromethyl)piperidin-4-yl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[1-ethyl-4-(trifluoromethyl)piperidin-4-yl]-1-methylpyrazole-5-carboxamide is CCN1CCC(NC(=O)c2cc(C3CC3)nn2C)(C(F)(F)F)CC1.
What is the InChIKey of 3-cyclopropyl-N-[1-ethyl-4-(trifluoromethyl)piperidin-4-yl]-1-methylpyrazole-5-carboxamide?
The InChIKey is CAORTNRZZUCDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4O/c1-3-23-8-6-15(7-9-23,16(17,18)19)20-14(24)13-10-12(11-4-5-11)21-22(13)2/h10-11H,3-9H2,1-2H3,(H,20,24).
What are the key properties of 3-cyclopropyl-N-[1-ethyl-4-(trifluoromethyl)piperidin-4-yl]-1-methylpyrazole-5-carboxamide?
3-cyclopropyl-N-[1-ethyl-4-(trifluoromethyl)piperidin-4-yl]-1-methylpyrazole-5-carboxamide has a molecular weight of 344.38 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[1-ethyl-4-(trifluoromethyl)piperidin-4-yl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 138017574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).