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

C20H22FN5O2 — CID 135885885

IUPAC3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-[(4-fluorophenyl)methyl]propanamide
SMILESCc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)NCc3ccc(F)cc3)c2C)n1
InChIInChI=1S/C20H22FN5O2/c1-12-10-19(28)24-20(23-12)26-14(3)17(13(2)25-26)8-9-18(27)22-11-15-4-6-16(21)7-5-15/h4-7,10H,8-9,11H2,1-3H3,(H,22,27)(H,23,24,28)
InChIKeyBVJVQBFHRAHXGT-UHFFFAOYSA-N
MW383.43 g/mol
LogP2.27
Rot. Bonds6

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

3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-[(4-fluorophenyl)methyl]propanamide (PubChem CID 135885885) has the molecular formula C20H22FN5O2 and a molecular weight of 383.43 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-[(4-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-[(4-fluorophenyl)methyl]propanamide
PubChem CID135885885
Molecular FormulaC20H22FN5O2
Molecular Weight383.43 g/mol
Exact Mass383.18
IUPAC Name3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-[(4-fluorophenyl)methyl]propanamide
SMILESCc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)NCc3ccc(F)cc3)c2C)n1
InChIInChI=1S/C20H22FN5O2/c1-12-10-19(28)24-20(23-12)26-14(3)17(13(2)25-26)8-9-18(27)22-11-15-4-6-16(21)7-5-15/h4-7,10H,8-9,11H2,1-3H3,(H,22,27)(H,23,24,28)
InChIKeyBVJVQBFHRAHXGT-UHFFFAOYSA-N
XLogP2.27
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-[3-methyl-1-(3-methylbenzyl)-1H-pyrazol-5-yl]benzamide
CID 1510958
3-fluoro-N-[1-(4-fluorobenzyl)-3-methyl-1H-pyrazol-5-yl]benzamide
CID 1510447
N1-[1-(tert-butyl)-3-methyl-1H-pyrazol-5-yl]-2-fluorobenzamide
CID 2818808
2-(3,5-Dimethyl-1H-pyrazol-1-yl)-6-phenylpyrimidin-4(1H)-one
CID 135433800
N-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)-3-methylbenzamide
CID 135753056
N-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)-4-methylbenzamide
CID 135753057
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
N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-(trifluoromethyl)benzamide
CID 135753094
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
3-[3,5-dimethyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-4-yl]-N-(pyridin-4-yl)propanamide
CID 135885902

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-[(4-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-[(4-fluorophenyl)methyl]propanamide (CID 135885885) is 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-[(4-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-[(4-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-[(4-fluorophenyl)methyl]propanamide is Cc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)NCc3ccc(F)cc3)c2C)n1.
What is the InChIKey of 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-[(4-fluorophenyl)methyl]propanamide?
The InChIKey is BVJVQBFHRAHXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O2/c1-12-10-19(28)24-20(23-12)26-14(3)17(13(2)25-26)8-9-18(27)22-11-15-4-6-16(21)7-5-15/h4-7,10H,8-9,11H2,1-3H3,(H,22,27)(H,23,24,28).
What are the key properties of 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-[(4-fluorophenyl)methyl]propanamide?
3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-[(4-fluorophenyl)methyl]propanamide has a molecular weight of 383.43 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-[(4-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 135885885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).