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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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).