6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C14H16F3N5O — CID 135944622

IUPAC6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1n[nH]c(C)c1CN1CCc2nc(C(F)(F)F)[nH]c(=O)c2C1
InChIInChI=1S/C14H16F3N5O/c1-7-9(8(2)21-20-7)5-22-4-3-11-10(6-22)12(23)19-13(18-11)14(15,16)17/h3-6H2,1-2H3,(H,20,21)(H,18,19,23)
InChIKeyZHDXWSQPIXJMMU-UHFFFAOYSA-N
MW327.31 g/mol
LogP1.69
Rot. Bonds2

About 6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135944622) has the molecular formula C14H16F3N5O and a molecular weight of 327.31 g/mol. Its IUPAC name is 6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135944622
Molecular FormulaC14H16F3N5O
Molecular Weight327.31 g/mol
Exact Mass327.13
IUPAC Name6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1n[nH]c(C)c1CN1CCc2nc(C(F)(F)F)[nH]c(=O)c2C1
InChIInChI=1S/C14H16F3N5O/c1-7-9(8(2)21-20-7)5-22-4-3-11-10(6-22)12(23)19-13(18-11)14(15,16)17/h3-6H2,1-2H3,(H,20,21)(H,18,19,23)
InChIKeyZHDXWSQPIXJMMU-UHFFFAOYSA-N
XLogP1.69
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 54876875
3,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 54876956
N-ethyl-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 55009426
N,3,5-trimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 60890286
3,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 60959025
3,5-dimethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 60959740
3,5-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 60960328
N,3,5-trimethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide
CID 63652850
5-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-13-fluoro-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one
CID 92127935
N-(3-amino-2,2-difluoropropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 114383744
N-(2,2-difluoroethyl)-N,3,5-trimethyl-1H-pyrazole-4-carboxamide
CID 115617367
3-{[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]methyl}-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126943403

Frequently Asked Questions

What is the IUPAC name of 6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135944622) is 6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1n[nH]c(C)c1CN1CCc2nc(C(F)(F)F)[nH]c(=O)c2C1.
What is the InChIKey of 6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is ZHDXWSQPIXJMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O/c1-7-9(8(2)21-20-7)5-22-4-3-11-10(6-22)12(23)19-13(18-11)14(15,16)17/h3-6H2,1-2H3,(H,20,21)(H,18,19,23).
What are the key properties of 6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 327.31 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135944622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).