[3-(difluoromethyl)-1-methylpyrazol-4-yl]-[4-methyl-4-(propan-2-ylamino)piperidin-1-yl]methanone

C15H24F2N4O — CID 146534932

IUPAC[3-(difluoromethyl)-1-methylpyrazol-4-yl]-[4-methyl-4-(propan-2-ylamino)piperidin-1-yl]methanone
SMILESCC(C)NC1(C)CCN(C(=O)c2cn(C)nc2C(F)F)CC1
InChIInChI=1S/C15H24F2N4O/c1-10(2)18-15(3)5-7-21(8-6-15)14(22)11-9-20(4)19-12(11)13(16)17/h9-10,13,18H,5-8H2,1-4H3
InChIKeyQKHJJRGIAZAITG-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.35
Rot. Bonds4

About [3-(difluoromethyl)-1-methylpyrazol-4-yl]-[4-methyl-4-(propan-2-ylamino)piperidin-1-yl]methanone

[3-(difluoromethyl)-1-methylpyrazol-4-yl]-[4-methyl-4-(propan-2-ylamino)piperidin-1-yl]methanone (PubChem CID 146534932) has the molecular formula C15H24F2N4O and a molecular weight of 314.38 g/mol. Its IUPAC name is [3-(difluoromethyl)-1-methylpyrazol-4-yl]-[4-methyl-4-(propan-2-ylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(difluoromethyl)-1-methylpyrazol-4-yl]-[4-methyl-4-(propan-2-ylamino)piperidin-1-yl]methanone
PubChem CID146534932
Molecular FormulaC15H24F2N4O
Molecular Weight314.38 g/mol
Exact Mass314.19
IUPAC Name[3-(difluoromethyl)-1-methylpyrazol-4-yl]-[4-methyl-4-(propan-2-ylamino)piperidin-1-yl]methanone
SMILESCC(C)NC1(C)CCN(C(=O)c2cn(C)nc2C(F)F)CC1
InChIInChI=1S/C15H24F2N4O/c1-10(2)18-15(3)5-7-21(8-6-15)14(22)11-9-20(4)19-12(11)13(16)17/h9-10,13,18H,5-8H2,1-4H3
InChIKeyQKHJJRGIAZAITG-UHFFFAOYSA-N
XLogP2.35
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4,4-difluoropiperidin-1-yl)-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone
CID 176856787
3-(difluoromethyl)-1-methyl-N-propan-2-ylpyrazole-4-carboxamide
CID 167378519
3-(difluoromethyl)-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-1-methylpyrazole-4-carboxamide
CID 165431998
[3-(difluoromethyl)-1-methylpyrazol-4-yl]-(7-methylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)methanone
CID 131680204
(3-ethyl-1-methylpyrazol-4-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 102811050
(5R)-2-[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]-9,9-dimethyl-8-oxo-2-azaspiro[4.5]dec-6-ene-7-carbonitrile
CID 169024025
2-[4-[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]piperazin-1-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 154853932
[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]-[3-(difluoromethyl)-1-methylpyrazol-4-yl]methanone
CID 171328772
[3-(difluoromethyl)-1-methylpyrazol-4-yl]-(5-methyl-1-prop-2-enoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone
CID 131679950
3-(difluoromethyl)-N-methoxy-1-methylpyrazole-4-carboxamide
CID 88925294
N-deuterio-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 175972125
[(5R,9S)-9-(cyclopropylmethoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]-[3-(difluoromethyl)-1-methylpyrazol-4-yl]methanone;2,2,2-trifluoroacetic acid
CID 155865861

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethyl)-1-methylpyrazol-4-yl]-[4-methyl-4-(propan-2-ylamino)piperidin-1-yl]methanone?
The IUPAC name of [3-(difluoromethyl)-1-methylpyrazol-4-yl]-[4-methyl-4-(propan-2-ylamino)piperidin-1-yl]methanone (CID 146534932) is [3-(difluoromethyl)-1-methylpyrazol-4-yl]-[4-methyl-4-(propan-2-ylamino)piperidin-1-yl]methanone.
What is the SMILES notation for [3-(difluoromethyl)-1-methylpyrazol-4-yl]-[4-methyl-4-(propan-2-ylamino)piperidin-1-yl]methanone?
The canonical SMILES for [3-(difluoromethyl)-1-methylpyrazol-4-yl]-[4-methyl-4-(propan-2-ylamino)piperidin-1-yl]methanone is CC(C)NC1(C)CCN(C(=O)c2cn(C)nc2C(F)F)CC1.
What is the InChIKey of [3-(difluoromethyl)-1-methylpyrazol-4-yl]-[4-methyl-4-(propan-2-ylamino)piperidin-1-yl]methanone?
The InChIKey is QKHJJRGIAZAITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N4O/c1-10(2)18-15(3)5-7-21(8-6-15)14(22)11-9-20(4)19-12(11)13(16)17/h9-10,13,18H,5-8H2,1-4H3.
What are the key properties of [3-(difluoromethyl)-1-methylpyrazol-4-yl]-[4-methyl-4-(propan-2-ylamino)piperidin-1-yl]methanone?
[3-(difluoromethyl)-1-methylpyrazol-4-yl]-[4-methyl-4-(propan-2-ylamino)piperidin-1-yl]methanone has a molecular weight of 314.38 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethyl)-1-methylpyrazol-4-yl]-[4-methyl-4-(propan-2-ylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 146534932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).