1-tert-butyl-N-(1-methyl-2-oxopiperidin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C15H21F3N4O2 — CID 139008217

IUPAC1-tert-butyl-N-(1-methyl-2-oxopiperidin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCN1CCCC(NC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)C1=O
InChIInChI=1S/C15H21F3N4O2/c1-14(2,3)22-11(15(16,17)18)9(8-19-22)12(23)20-10-6-5-7-21(4)13(10)24/h8,10H,5-7H2,1-4H3,(H,20,23)
InChIKeyKAQUIJUFFCAYIK-UHFFFAOYSA-N
MW346.35 g/mol
LogP2.01
Rot. Bonds2

About 1-tert-butyl-N-(1-methyl-2-oxopiperidin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

1-tert-butyl-N-(1-methyl-2-oxopiperidin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 139008217) has the molecular formula C15H21F3N4O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is 1-tert-butyl-N-(1-methyl-2-oxopiperidin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-(1-methyl-2-oxopiperidin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID139008217
Molecular FormulaC15H21F3N4O2
Molecular Weight346.35 g/mol
Exact Mass346.16
IUPAC Name1-tert-butyl-N-(1-methyl-2-oxopiperidin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCN1CCCC(NC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)C1=O
InChIInChI=1S/C15H21F3N4O2/c1-14(2,3)22-11(15(16,17)18)9(8-19-22)12(23)20-10-6-5-7-21(4)13(10)24/h8,10H,5-7H2,1-4H3,(H,20,23)
InChIKeyKAQUIJUFFCAYIK-UHFFFAOYSA-N
XLogP2.01
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-fluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)-5-(trifluoromethyl)benzamide
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1,5-bis(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-4-carboxamide
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(3R)-4,4,4-trifluoro-3-hydroxy-N-[(3S)-1-methyl-2-oxopiperidin-3-yl]butanamide
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2-methoxy-N-(1-methyl-2-oxoazepan-3-yl)benzamide
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2-amino-5-bromo-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide
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2-chloro-N-(1-methyl-2-oxopiperidin-3-yl)acetamide
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1-tert-butyl-N-(4-ethyl-1,2,4-triazol-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-(1-methyl-2-oxopiperidin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-tert-butyl-N-(1-methyl-2-oxopiperidin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 139008217) is 1-tert-butyl-N-(1-methyl-2-oxopiperidin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-(1-methyl-2-oxopiperidin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-tert-butyl-N-(1-methyl-2-oxopiperidin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide is CN1CCCC(NC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)C1=O.
What is the InChIKey of 1-tert-butyl-N-(1-methyl-2-oxopiperidin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is KAQUIJUFFCAYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O2/c1-14(2,3)22-11(15(16,17)18)9(8-19-22)12(23)20-10-6-5-7-21(4)13(10)24/h8,10H,5-7H2,1-4H3,(H,20,23).
What are the key properties of 1-tert-butyl-N-(1-methyl-2-oxopiperidin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-tert-butyl-N-(1-methyl-2-oxopiperidin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 346.35 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-(1-methyl-2-oxopiperidin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 139008217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).