N-(3-chloro-4-fluorophenyl)-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide

C19H19ClFN5O2 — CID 135885934

IUPACN-(3-chloro-4-fluorophenyl)-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide
SMILESCc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)Nc3ccc(F)c(Cl)c3)c2C)n1
InChIInChI=1S/C19H19ClFN5O2/c1-10-8-18(28)24-19(22-10)26-12(3)14(11(2)25-26)5-7-17(27)23-13-4-6-16(21)15(20)9-13/h4,6,8-9H,5,7H2,1-3H3,(H,23,27)(H,22,24,28)
InChIKeyRHRLRQLKBYHFKC-UHFFFAOYSA-N
MW403.85 g/mol
LogP3.24
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide

N-(3-chloro-4-fluorophenyl)-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide (PubChem CID 135885934) has the molecular formula C19H19ClFN5O2 and a molecular weight of 403.85 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide
PubChem CID135885934
Molecular FormulaC19H19ClFN5O2
Molecular Weight403.85 g/mol
Exact Mass403.12
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide
SMILESCc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)Nc3ccc(F)c(Cl)c3)c2C)n1
InChIInChI=1S/C19H19ClFN5O2/c1-10-8-18(28)24-19(22-10)26-12(3)14(11(2)25-26)5-7-17(27)23-13-4-6-16(21)15(20)9-13/h4,6,8-9H,5,7H2,1-3H3,(H,23,27)(H,22,24,28)
InChIKeyRHRLRQLKBYHFKC-UHFFFAOYSA-N
XLogP3.24
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.85
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl]-2-fluorobenzamide
CID 135753074
N-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)-4-fluorobenzamide
CID 135753076
3-chloro-N-[1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl]benzamide
CID 135753078
4-chloro-N-[1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl]benzamide
CID 135753079
3-[3,5-dimethyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-4-yl]-N-(2-fluorophenyl)propanamide
CID 135885893
N-(3,4-difluorophenyl)-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-4-yl]propanamide
CID 135885898
N-(4-chlorophenyl)-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-4-yl]propanamide
CID 135885928
N-(3-Chloro-4-fluorophenyl)-3-{3,5-dimethyl-1-[6-(pyrrolidin-1-YL)pyridazin-3-YL]-1H-pyrazol-4-YL}propanamide
CID 16026859
1-(4-chlorophenyl)-N-(3-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)cyclopentanecarboxamide
CID 135752976
N-[2-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-fluorobenzamide
CID 135753075
3-[3,5-dimethyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-4-yl]-N-(3-fluorophenyl)propanamide
CID 135885894
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-chloro-6-fluorobenzamide
CID 2473828

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide (CID 135885934) is N-(3-chloro-4-fluorophenyl)-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide is Cc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)Nc3ccc(F)c(Cl)c3)c2C)n1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide?
The InChIKey is RHRLRQLKBYHFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN5O2/c1-10-8-18(28)24-19(22-10)26-12(3)14(11(2)25-26)5-7-17(27)23-13-4-6-16(21)15(20)9-13/h4,6,8-9H,5,7H2,1-3H3,(H,23,27)(H,22,24,28).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide?
N-(3-chloro-4-fluorophenyl)-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide has a molecular weight of 403.85 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide is sourced from PubChem (CID 135885934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).