2-(4-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide

C22H18ClN5O3 — CID 108786231

IUPAC2-(4-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1c(NC(=O)c2cnc(-c3ccc(Cl)cc3)[nH]c2=O)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C22H18ClN5O3/c1-13-18(22(31)28(27(13)2)16-6-4-3-5-7-16)25-20(29)17-12-24-19(26-21(17)30)14-8-10-15(23)11-9-14/h3-12H,1-2H3,(H,25,29)(H,24,26,30)
InChIKeyUNURJEPKHMSAQC-UHFFFAOYSA-N
MW435.87 g/mol
LogP3.14
Rot. Bonds4

About 2-(4-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide

2-(4-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 108786231) has the molecular formula C22H18ClN5O3 and a molecular weight of 435.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID108786231
Molecular FormulaC22H18ClN5O3
Molecular Weight435.87 g/mol
Exact Mass435.11
IUPAC Name2-(4-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1c(NC(=O)c2cnc(-c3ccc(Cl)cc3)[nH]c2=O)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C22H18ClN5O3/c1-13-18(22(31)28(27(13)2)16-6-4-3-5-7-16)25-20(29)17-12-24-19(26-21(17)30)14-8-10-15(23)11-9-14/h3-12H,1-2H3,(H,25,29)(H,24,26,30)
InChIKeyUNURJEPKHMSAQC-UHFFFAOYSA-N
XLogP3.14
TPSA101.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.87
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108786335
4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-iodobenzamide
CID 39705744
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 51310773
2-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108786151
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 21924
5-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methylpyrazole-4-carboxamide
CID 110452089
3-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 789711
1-(3-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-ethylpyrazole-4-carboxamide
CID 46588715
N-(2-methyl-6-propan-2-ylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648710
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 36978519
2-(4-chlorophenyl)-N-(3-cyano-4,5-diphenylfuran-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108799328
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-oxo-1-phenyl-4H-1,2,4-triazole-3-carboxamide
CID 136734247

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide (CID 108786231) is 2-(4-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide is Cc1c(NC(=O)c2cnc(-c3ccc(Cl)cc3)[nH]c2=O)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 2-(4-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is UNURJEPKHMSAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN5O3/c1-13-18(22(31)28(27(13)2)16-6-4-3-5-7-16)25-20(29)17-12-24-19(26-21(17)30)14-8-10-15(23)11-9-14/h3-12H,1-2H3,(H,25,29)(H,24,26,30).
What are the key properties of 2-(4-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
2-(4-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 435.87 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 108786231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).