1-(2,2-difluoroethyl)-3,5-dimethyl-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]pyrazole-4-carboxamide

C14H17F2N5O2 — CID 167944324

IUPAC1-(2,2-difluoroethyl)-3,5-dimethyl-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]pyrazole-4-carboxamide
SMILESCc1cc(=O)[nH]c(CNC(=O)c2c(C)nn(CC(F)F)c2C)n1
InChIInChI=1S/C14H17F2N5O2/c1-7-4-12(22)19-11(18-7)5-17-14(23)13-8(2)20-21(9(13)3)6-10(15)16/h4,10H,5-6H2,1-3H3,(H,17,23)(H,18,19,22)
InChIKeyFAVCWLUMEVWNIY-UHFFFAOYSA-N
MW325.32 g/mol
LogP1.09
Rot. Bonds5

About 1-(2,2-difluoroethyl)-3,5-dimethyl-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]pyrazole-4-carboxamide

1-(2,2-difluoroethyl)-3,5-dimethyl-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]pyrazole-4-carboxamide (PubChem CID 167944324) has the molecular formula C14H17F2N5O2 and a molecular weight of 325.32 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3,5-dimethyl-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3,5-dimethyl-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]pyrazole-4-carboxamide
PubChem CID167944324
Molecular FormulaC14H17F2N5O2
Molecular Weight325.32 g/mol
Exact Mass325.14
IUPAC Name1-(2,2-difluoroethyl)-3,5-dimethyl-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]pyrazole-4-carboxamide
SMILESCc1cc(=O)[nH]c(CNC(=O)c2c(C)nn(CC(F)F)c2C)n1
InChIInChI=1S/C14H17F2N5O2/c1-7-4-12(22)19-11(18-7)5-17-14(23)13-8(2)20-21(9(13)3)6-10(15)16/h4,10H,5-6H2,1-3H3,(H,17,23)(H,18,19,22)
InChIKeyFAVCWLUMEVWNIY-UHFFFAOYSA-N
XLogP1.09
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2,2-difluoroethyl)-3,5-dimethyl-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]pyrazole-4-carboxamide with MolForge

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Related Compounds

2-[3,5-dimethyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-4-methyl-1H-pyrimidin-6-one
CID 137049228
N-[2-(dimethylamino)ethyl]-5-methyl-1-(1-methylpiperidin-3-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 45502077
N-cyclopropyl-5-methyl-1-(1-methylpiperidin-3-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 45502086
N-ethyl-5-methyl-1-(1-methylpiperidin-3-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 45502104
5-methyl-1-(1-methylpiperidin-3-yl)-N-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 45502105
N-isobutyl-5-methyl-1-(1-methylpiperidin-3-yl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 45502106
N-butan-2-yl-5-methyl-1-(1-methylpiperidin-3-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 45502107
N-allyl-5-methyl-1-(1-methylpiperidin-3-yl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 45502108
5-methyl-N-(3-methylbutyl)-1-(1-methylpiperidin-3-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 45502109
N-cyclopentyl-5-methyl-1-(1-methylpiperidin-3-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 45502115
N-cyclohexyl-5-methyl-1-(1-methylpiperidin-3-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 45502116
5-methyl-1-(1-methylpiperidin-3-yl)-N-pentyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 45502120

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3,5-dimethyl-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(2,2-difluoroethyl)-3,5-dimethyl-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]pyrazole-4-carboxamide (CID 167944324) is 1-(2,2-difluoroethyl)-3,5-dimethyl-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3,5-dimethyl-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(2,2-difluoroethyl)-3,5-dimethyl-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]pyrazole-4-carboxamide is Cc1cc(=O)[nH]c(CNC(=O)c2c(C)nn(CC(F)F)c2C)n1.
What is the InChIKey of 1-(2,2-difluoroethyl)-3,5-dimethyl-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is FAVCWLUMEVWNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N5O2/c1-7-4-12(22)19-11(18-7)5-17-14(23)13-8(2)20-21(9(13)3)6-10(15)16/h4,10H,5-6H2,1-3H3,(H,17,23)(H,18,19,22).
What are the key properties of 1-(2,2-difluoroethyl)-3,5-dimethyl-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]pyrazole-4-carboxamide?
1-(2,2-difluoroethyl)-3,5-dimethyl-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 325.32 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3,5-dimethyl-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 167944324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).