N-(2,4-difluorophenyl)-5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide

C16H13F2N5O2 — CID 137010044

IUPACN-(2,4-difluorophenyl)-5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide
SMILESCc1cc(=O)[nH]c(-n2ncc(C(=O)Nc3ccc(F)cc3F)c2C)n1
InChIInChI=1S/C16H13F2N5O2/c1-8-5-14(24)22-16(20-8)23-9(2)11(7-19-23)15(25)21-13-4-3-10(17)6-12(13)18/h3-7H,1-2H3,(H,21,25)(H,20,22,24)
InChIKeyHPVSLHHZGMNBSE-UHFFFAOYSA-N
MW345.31 g/mol
LogP2.10
Rot. Bonds3

About N-(2,4-difluorophenyl)-5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide

N-(2,4-difluorophenyl)-5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide (PubChem CID 137010044) has the molecular formula C16H13F2N5O2 and a molecular weight of 345.31 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide
PubChem CID137010044
Molecular FormulaC16H13F2N5O2
Molecular Weight345.31 g/mol
Exact Mass345.10
IUPAC NameN-(2,4-difluorophenyl)-5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide
SMILESCc1cc(=O)[nH]c(-n2ncc(C(=O)Nc3ccc(F)cc3F)c2C)n1
InChIInChI=1S/C16H13F2N5O2/c1-8-5-14(24)22-16(20-8)23-9(2)11(7-19-23)15(25)21-13-4-3-10(17)6-12(13)18/h3-7H,1-2H3,(H,21,25)(H,20,22,24)
InChIKeyHPVSLHHZGMNBSE-UHFFFAOYSA-N
XLogP2.10
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide (CID 137010044) is N-(2,4-difluorophenyl)-5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide is Cc1cc(=O)[nH]c(-n2ncc(C(=O)Nc3ccc(F)cc3F)c2C)n1.
What is the InChIKey of N-(2,4-difluorophenyl)-5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide?
The InChIKey is HPVSLHHZGMNBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N5O2/c1-8-5-14(24)22-16(20-8)23-9(2)11(7-19-23)15(25)21-13-4-3-10(17)6-12(13)18/h3-7H,1-2H3,(H,21,25)(H,20,22,24).
What are the key properties of N-(2,4-difluorophenyl)-5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide?
N-(2,4-difluorophenyl)-5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide has a molecular weight of 345.31 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 137010044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).