N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-4-fluorobenzamide

C20H20FN5O2 — CID 135892095

IUPACN-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-4-fluorobenzamide
SMILESCC(C)c1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C20H20FN5O2/c1-11(2)15-10-18(27)24-20(22-15)26-17(9-16(25-26)12-3-4-12)23-19(28)13-5-7-14(21)8-6-13/h5-12H,3-4H2,1-2H3,(H,23,28)(H,22,24,27)
InChIKeyZPGDWHSYVYAKGI-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.35
Rot. Bonds5

About N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-4-fluorobenzamide

N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-4-fluorobenzamide (PubChem CID 135892095) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-4-fluorobenzamide
PubChem CID135892095
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC NameN-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-4-fluorobenzamide
SMILESCC(C)c1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C20H20FN5O2/c1-11(2)15-10-18(27)24-20(22-15)26-17(9-16(25-26)12-3-4-12)23-19(28)13-5-7-14(21)8-6-13/h5-12H,3-4H2,1-2H3,(H,23,28)(H,22,24,27)
InChIKeyZPGDWHSYVYAKGI-UHFFFAOYSA-N
XLogP3.35
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

6-methyl-2-(3-methyl-5-((4-methylphenyl)amino)-1H-pyrazol-1-yl)-1,4-dihydropyrimidin-4-one
CID 135415440
N-(5-Cyclopropyl-1h-Pyrazol-3-Yl)Benzamide
CID 449088
N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 4156919
4-cyano-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 11574130
N-(1-methyl-3-phenylpyrazol-5-yl)benzamide
CID 2814962
2-methyl-4H,5H-pyrazolo[1,5-a]quinazolin-5-one
CID 135512367
2-Methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-ol
CID 135459218
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-fluoro-2-phenylacetamide
CID 5330942
N-(5-Cyclopropyl-1h-Pyrazol-3-Yl)benzene-1,4-Dicarboxamide
CID 5330977
N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)benzamide
CID 5330981
4-{[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]methyl}benzamide
CID 5330999
3-Phenylacetamidoaminopyrazole deriv. 39
CID 6538741

Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-4-fluorobenzamide?
The IUPAC name of N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-4-fluorobenzamide (CID 135892095) is N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-4-fluorobenzamide?
The canonical SMILES for N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-4-fluorobenzamide is CC(C)c1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)c2ccc(F)cc2)n1.
What is the InChIKey of N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-4-fluorobenzamide?
The InChIKey is ZPGDWHSYVYAKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2/c1-11(2)15-10-18(27)24-20(22-15)26-17(9-16(25-26)12-3-4-12)23-19(28)13-5-7-14(21)8-6-13/h5-12H,3-4H2,1-2H3,(H,23,28)(H,22,24,27).
What are the key properties of N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-4-fluorobenzamide?
N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-4-fluorobenzamide has a molecular weight of 381.41 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-4-fluorobenzamide is sourced from PubChem (CID 135892095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).