3-[1-[1-(difluoromethyl)pyrazole-3-carbonyl]piperidin-3-yl]-N,N-dimethylpropanamide

C15H22F2N4O2 — CID 72900477

IUPAC3-[1-[1-(difluoromethyl)pyrazole-3-carbonyl]piperidin-3-yl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCC1CCCN(C(=O)c2ccn(C(F)F)n2)C1
InChIInChI=1S/C15H22F2N4O2/c1-19(2)13(22)6-5-11-4-3-8-20(10-11)14(23)12-7-9-21(18-12)15(16)17/h7,9,11,15H,3-6,8,10H2,1-2H3
InChIKeyYJKGCAKLMZXHOS-UHFFFAOYSA-N
MW328.36 g/mol
LogP2.00
Rot. Bonds5

About 3-[1-[1-(difluoromethyl)pyrazole-3-carbonyl]piperidin-3-yl]-N,N-dimethylpropanamide

3-[1-[1-(difluoromethyl)pyrazole-3-carbonyl]piperidin-3-yl]-N,N-dimethylpropanamide (PubChem CID 72900477) has the molecular formula C15H22F2N4O2 and a molecular weight of 328.36 g/mol. Its IUPAC name is 3-[1-[1-(difluoromethyl)pyrazole-3-carbonyl]piperidin-3-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[1-[1-(difluoromethyl)pyrazole-3-carbonyl]piperidin-3-yl]-N,N-dimethylpropanamide
PubChem CID72900477
Molecular FormulaC15H22F2N4O2
Molecular Weight328.36 g/mol
Exact Mass328.17
IUPAC Name3-[1-[1-(difluoromethyl)pyrazole-3-carbonyl]piperidin-3-yl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCC1CCCN(C(=O)c2ccn(C(F)F)n2)C1
InChIInChI=1S/C15H22F2N4O2/c1-19(2)13(22)6-5-11-4-3-8-20(10-11)14(23)12-7-9-21(18-12)15(16)17/h7,9,11,15H,3-6,8,10H2,1-2H3
InChIKeyYJKGCAKLMZXHOS-UHFFFAOYSA-N
XLogP2.00
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

US11142526, Example 79
CID 137533029
US11142526, Example 81
CID 137533224
(4-Methylpiperidin-1-yl)-(1-propylpyrazol-3-yl)methanone
CID 39891793
2-[2-(dimethylamino)ethyl]-9-[(1-methyl-1H-pyrazol-3-yl)carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72850435
2-Cyclopentyl-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72907096
[(2S,4S)-4-fluoro-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 110875994
[(2S,4S)-1-(2-ethylpyrazole-3-carbonyl)-4-fluoropyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 110875996
[(2S,4S)-1-(1-ethylpyrazole-3-carbonyl)-4-fluoropyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 110875997
2-Ethyl-6-(1-methylpyrazole-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
CID 118738748
5-[1-(1-Ethyl-1H-pyrazole-5-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
CID 110201708
(1-Ethyl-3-pyrazolyl)piperidinomethanone
CID 25855597
(2-Ethylpyrazol-3-yl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone
CID 53150889

Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(difluoromethyl)pyrazole-3-carbonyl]piperidin-3-yl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[1-[1-(difluoromethyl)pyrazole-3-carbonyl]piperidin-3-yl]-N,N-dimethylpropanamide (CID 72900477) is 3-[1-[1-(difluoromethyl)pyrazole-3-carbonyl]piperidin-3-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[1-[1-(difluoromethyl)pyrazole-3-carbonyl]piperidin-3-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[1-[1-(difluoromethyl)pyrazole-3-carbonyl]piperidin-3-yl]-N,N-dimethylpropanamide is CN(C)C(=O)CCC1CCCN(C(=O)c2ccn(C(F)F)n2)C1.
What is the InChIKey of 3-[1-[1-(difluoromethyl)pyrazole-3-carbonyl]piperidin-3-yl]-N,N-dimethylpropanamide?
The InChIKey is YJKGCAKLMZXHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N4O2/c1-19(2)13(22)6-5-11-4-3-8-20(10-11)14(23)12-7-9-21(18-12)15(16)17/h7,9,11,15H,3-6,8,10H2,1-2H3.
What are the key properties of 3-[1-[1-(difluoromethyl)pyrazole-3-carbonyl]piperidin-3-yl]-N,N-dimethylpropanamide?
3-[1-[1-(difluoromethyl)pyrazole-3-carbonyl]piperidin-3-yl]-N,N-dimethylpropanamide has a molecular weight of 328.36 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(difluoromethyl)pyrazole-3-carbonyl]piperidin-3-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 72900477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).