5-chloro-N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methoxybenzamide

C25H18ClN5O4 — CID 135955461

IUPAC5-chloro-N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1cc(-c2ccco2)nn1-c1nc(-c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C25H18ClN5O4/c1-34-20-10-9-16(26)12-17(20)24(33)28-22-13-19(21-8-5-11-35-21)30-31(22)25-27-18(14-23(32)29-25)15-6-3-2-4-7-15/h2-14H,1H3,(H,28,33)(H,27,29,32)
InChIKeyKVAGOUUEOFHZGD-UHFFFAOYSA-N
MW487.90 g/mol
LogP4.80
Rot. Bonds6

About 5-chloro-N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methoxybenzamide

5-chloro-N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methoxybenzamide (PubChem CID 135955461) has the molecular formula C25H18ClN5O4 and a molecular weight of 487.90 g/mol. Its IUPAC name is 5-chloro-N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methoxybenzamide
PubChem CID135955461
Molecular FormulaC25H18ClN5O4
Molecular Weight487.90 g/mol
Exact Mass487.10
IUPAC Name5-chloro-N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1cc(-c2ccco2)nn1-c1nc(-c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C25H18ClN5O4/c1-34-20-10-9-16(26)12-17(20)24(33)28-22-13-19(21-8-5-11-35-21)30-31(22)25-27-18(14-23(32)29-25)15-6-3-2-4-7-15/h2-14H,1H3,(H,28,33)(H,27,29,32)
InChIKeyKVAGOUUEOFHZGD-UHFFFAOYSA-N
XLogP4.80
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.90
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-5-methylpyrazol-3-yl]benzamide
CID 44448347
N-(1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-(furan-2-yl)-1H-pyrazol-5-yl)-2,6-difluorobenzamide
CID 135955410
2-chloro-6-fluoro-N-(3-(furan-2-yl)-1-(2-hydroxyethyl)-1H-pyrazol-5-yl)benzamide
CID 49677526
N-(1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-(furan-2-yl)-1H-pyrazol-5-yl)-3,4-difluorobenzamide
CID 135955411
N-(1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-(furan-2-yl)-1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 135955413
N-[1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-(furan-2-yl)-1H-pyrazol-5-yl]-2-(2-fluorophenoxy)acetamide
CID 135955418
N-[1-(1,6-Dihydro-4,5-dimethyl-6-oxo-2-pyrimidinyl)-3-(2-furanyl)-1H-pyrazol-5-yl]-4-fluorobenzeneacetamide
CID 135955422
N-(1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-(furan-2-yl)-1H-pyrazol-5-yl)-2,3-dimethoxybenzamide
CID 135955407
N-(1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-(furan-2-yl)-1H-pyrazol-5-yl)-2-(p-tolyloxy)acetamide
CID 135955417
2-(benzylthio)-N-(1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-(furan-2-yl)-1H-pyrazol-5-yl)acetamide
CID 135955420
N-(1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-(furan-2-yl)-1H-pyrazol-5-yl)-2-phenylbutanamide
CID 136171701
5-chloro-2-methoxy-N-(3-methyl-1-(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)-1H-pyrazol-5-yl)benzamide
CID 135551866

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methoxybenzamide (CID 135955461) is 5-chloro-N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)Nc1cc(-c2ccco2)nn1-c1nc(-c2ccccc2)cc(=O)[nH]1.
What is the InChIKey of 5-chloro-N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methoxybenzamide?
The InChIKey is KVAGOUUEOFHZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClN5O4/c1-34-20-10-9-16(26)12-17(20)24(33)28-22-13-19(21-8-5-11-35-21)30-31(22)25-27-18(14-23(32)29-25)15-6-3-2-4-7-15/h2-14H,1H3,(H,28,33)(H,27,29,32).
What are the key properties of 5-chloro-N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methoxybenzamide?
5-chloro-N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methoxybenzamide has a molecular weight of 487.90 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methoxybenzamide is sourced from PubChem (CID 135955461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).