6-(difluoromethyl)-3-[[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one

C15H17F2N5O2 — CID 126943846

IUPAC6-(difluoromethyl)-3-[[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=C(c1ccn[nH]1)N1CCC(Cn2cnc(C(F)F)cc2=O)CC1
InChIInChI=1S/C15H17F2N5O2/c16-14(17)12-7-13(23)22(9-18-12)8-10-2-5-21(6-3-10)15(24)11-1-4-19-20-11/h1,4,7,9-10,14H,2-3,5-6,8H2,(H,19,20)
InChIKeyNYYFFRSFUYPVOJ-UHFFFAOYSA-N
MW337.33 g/mol
LogP1.46
Rot. Bonds4

About 6-(difluoromethyl)-3-[[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one

6-(difluoromethyl)-3-[[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126943846) has the molecular formula C15H17F2N5O2 and a molecular weight of 337.33 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-[[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-(difluoromethyl)-3-[[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126943846
Molecular FormulaC15H17F2N5O2
Molecular Weight337.33 g/mol
Exact Mass337.14
IUPAC Name6-(difluoromethyl)-3-[[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=C(c1ccn[nH]1)N1CCC(Cn2cnc(C(F)F)cc2=O)CC1
InChIInChI=1S/C15H17F2N5O2/c16-14(17)12-7-13(23)22(9-18-12)8-10-2-5-21(6-3-10)15(24)11-1-4-19-20-11/h1,4,7,9-10,14H,2-3,5-6,8H2,(H,19,20)
InChIKeyNYYFFRSFUYPVOJ-UHFFFAOYSA-N
XLogP1.46
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-piperidin-1-yl-7-(1H-pyrazole-5-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135674583
2-methyl-4-[3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one
CID 137129858
1H-pyrazol-5-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 42959182
[(3R)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 97588991
4-fluoro-4-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylic acid
CID 90809350
1H-pyrazol-5-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 40150271
1H-pyrazol-5-yl-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 40150272
(4-amino-1H-pyrazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 65533199
N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1H-pyrazole-5-carboxamide
CID 71854780
N-cyclohexyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-carboxamide
CID 71974049
[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 71980852
N-ethyl-1-(1H-pyrazole-5-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 71998432

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-[[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 6-(difluoromethyl)-3-[[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 126943846) is 6-(difluoromethyl)-3-[[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 6-(difluoromethyl)-3-[[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 6-(difluoromethyl)-3-[[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one is O=C(c1ccn[nH]1)N1CCC(Cn2cnc(C(F)F)cc2=O)CC1.
What is the InChIKey of 6-(difluoromethyl)-3-[[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is NYYFFRSFUYPVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N5O2/c16-14(17)12-7-13(23)22(9-18-12)8-10-2-5-21(6-3-10)15(24)11-1-4-19-20-11/h1,4,7,9-10,14H,2-3,5-6,8H2,(H,19,20).
What are the key properties of 6-(difluoromethyl)-3-[[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one?
6-(difluoromethyl)-3-[[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 337.33 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-[[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126943846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).