4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

C22H19ClFN5O2 — CID 5218350

IUPAC4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(F)cc2)C(c2c(C)nn(-c3ccccc3)c2Cl)NC(=O)N1
InChIInChI=1S/C22H19ClFN5O2/c1-12-18(21(30)26-15-10-8-14(24)9-11-15)19(27-22(31)25-12)17-13(2)28-29(20(17)23)16-6-4-3-5-7-16/h3-11,19H,1-2H3,(H,26,30)(H2,25,27,31)
InChIKeyFRJDCRQUFZPVAQ-UHFFFAOYSA-N
MW439.88 g/mol
LogP4.24
Rot. Bonds4

About 4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 5218350) has the molecular formula C22H19ClFN5O2 and a molecular weight of 439.88 g/mol. Its IUPAC name is 4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID5218350
Molecular FormulaC22H19ClFN5O2
Molecular Weight439.88 g/mol
Exact Mass439.12
IUPAC Name4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(F)cc2)C(c2c(C)nn(-c3ccccc3)c2Cl)NC(=O)N1
InChIInChI=1S/C22H19ClFN5O2/c1-12-18(21(30)26-15-10-8-14(24)9-11-15)19(27-22(31)25-12)17-13(2)28-29(20(17)23)16-6-4-3-5-7-16/h3-11,19H,1-2H3,(H,26,30)(H2,25,27,31)
InChIKeyFRJDCRQUFZPVAQ-UHFFFAOYSA-N
XLogP4.24
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.88
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-acetyl-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 102384040
ethyl (4R)-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7112613
(4S)-N,4-bis(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 962637
N-(4-chlorophenyl)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2860777
(4S)-4-(2,6-dichlorophenyl)-6-methyl-N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1235054
N-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridine-4-carboxamide
CID 136703081
4-(2,6-dichlorophenyl)-N-(3,4-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2922091
(4S)-4-(4-bromophenyl)-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 40606898
(4R)-N-(3-chlorophenyl)-4-(2,6-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 8812872
N-(4-acetamidophenyl)-5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 8701464
(4S)-N-(3,4-difluorophenyl)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7714723
(4R)-4-[4-(dimethylamino)phenyl]-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7110409

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of 4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 5218350) is 4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)Nc2ccc(F)cc2)C(c2c(C)nn(-c3ccccc3)c2Cl)NC(=O)N1.
What is the InChIKey of 4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is FRJDCRQUFZPVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN5O2/c1-12-18(21(30)26-15-10-8-14(24)9-11-15)19(27-22(31)25-12)17-13(2)28-29(20(17)23)16-6-4-3-5-7-16/h3-11,19H,1-2H3,(H,26,30)(H2,25,27,31).
What are the key properties of 4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 439.88 g/mol, XLogP of 4.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 5218350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).