N-[3-cyclopropyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2,6-difluorobenzamide

C18H15F2N5O2 — CID 135892001

IUPACN-[3-cyclopropyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2,6-difluorobenzamide
SMILESCc1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)c2c(F)cccc2F)n1
InChIInChI=1S/C18H15F2N5O2/c1-9-7-15(26)23-18(21-9)25-14(8-13(24-25)10-5-6-10)22-17(27)16-11(19)3-2-4-12(16)20/h2-4,7-8,10H,5-6H2,1H3,(H,22,27)(H,21,23,26)
InChIKeyUQYUAJSUHNSLNE-UHFFFAOYSA-N
MW371.35 g/mol
LogP2.67
Rot. Bonds4

About N-[3-cyclopropyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2,6-difluorobenzamide

N-[3-cyclopropyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2,6-difluorobenzamide (PubChem CID 135892001) has the molecular formula C18H15F2N5O2 and a molecular weight of 371.35 g/mol. Its IUPAC name is N-[3-cyclopropyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[3-cyclopropyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2,6-difluorobenzamide
PubChem CID135892001
Molecular FormulaC18H15F2N5O2
Molecular Weight371.35 g/mol
Exact Mass371.12
IUPAC NameN-[3-cyclopropyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2,6-difluorobenzamide
SMILESCc1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)c2c(F)cccc2F)n1
InChIInChI=1S/C18H15F2N5O2/c1-9-7-15(26)23-18(21-9)25-14(8-13(24-25)10-5-6-10)22-17(27)16-11(19)3-2-4-12(16)20/h2-4,7-8,10H,5-6H2,1H3,(H,22,27)(H,21,23,26)
InChIKeyUQYUAJSUHNSLNE-UHFFFAOYSA-N
XLogP2.67
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-cyclopropyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2,6-difluorobenzamide with MolForge

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Launch Full Analysis

Related Compounds

N-[3-cyclopropyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methoxyacetamide
CID 135891989
N-[3-cyclopropyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 135892051
2-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135752929
3-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135752930
2-chloro-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-6-fluorobenzamide
CID 135753087
3-methyl-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135870125
2,6-difluoro-N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide
CID 136605735
N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2,3-dimethoxybenzamide
CID 135892092
2-methyl-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135752917
2,6-difluoro-N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]benzamide
CID 136615236
N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide
CID 135752996
N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-3-nitrobenzamide
CID 135870144

Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2,6-difluorobenzamide?
The IUPAC name of N-[3-cyclopropyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2,6-difluorobenzamide (CID 135892001) is N-[3-cyclopropyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[3-cyclopropyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2,6-difluorobenzamide?
The canonical SMILES for N-[3-cyclopropyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2,6-difluorobenzamide is Cc1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)c2c(F)cccc2F)n1.
What is the InChIKey of N-[3-cyclopropyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2,6-difluorobenzamide?
The InChIKey is UQYUAJSUHNSLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N5O2/c1-9-7-15(26)23-18(21-9)25-14(8-13(24-25)10-5-6-10)22-17(27)16-11(19)3-2-4-12(16)20/h2-4,7-8,10H,5-6H2,1H3,(H,22,27)(H,21,23,26).
What are the key properties of N-[3-cyclopropyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2,6-difluorobenzamide?
N-[3-cyclopropyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2,6-difluorobenzamide has a molecular weight of 371.35 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclopropyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 135892001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).