N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-3-(2-methyl-6-oxo-1-pyridinyl)propanamide

C20H21FN4O2 — CID 70761761

IUPACN-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
SMILESCc1cccc(=O)n1CCC(=O)N(C)Cc1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C20H21FN4O2/c1-15-4-3-5-20(27)24(15)11-10-19(26)23(2)13-16-12-22-25(14-16)18-8-6-17(21)7-9-18/h3-9,12,14H,10-11,13H2,1-2H3
InChIKeyZOOXGCONSATDIJ-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.53
Rot. Bonds6

About N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-3-(2-methyl-6-oxo-1-pyridinyl)propanamide

N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-3-(2-methyl-6-oxo-1-pyridinyl)propanamide (PubChem CID 70761761) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-3-(2-methyl-6-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
PubChem CID70761761
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC NameN-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
SMILESCc1cccc(=O)n1CCC(=O)N(C)Cc1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C20H21FN4O2/c1-15-4-3-5-20(27)24(15)11-10-19(26)23(2)13-16-12-22-25(14-16)18-8-6-17(21)7-9-18/h3-9,12,14H,10-11,13H2,1-2H3
InChIKeyZOOXGCONSATDIJ-UHFFFAOYSA-N
XLogP2.53
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166271
2-(4-fluorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8961646
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 8962429
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-3-[2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 45224221
N-methyl-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]-3-(2-oxoazepan-1-yl)propanamide
CID 91778052
N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166240
3-(6-fluoro-1H-benzimidazol-2-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 70742540
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-sulfanylacetamide
CID 122174227
2-hydroxy-N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 51237804
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 70712085
4-(2,5-dioxoimidazolidin-1-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide
CID 8961676
N-methyl-3-(2-methyl-6-oxo-1-pyridinyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 72857248

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-3-(2-methyl-6-oxo-1-pyridinyl)propanamide?
The IUPAC name of N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-3-(2-methyl-6-oxo-1-pyridinyl)propanamide (CID 70761761) is N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-3-(2-methyl-6-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-3-(2-methyl-6-oxo-1-pyridinyl)propanamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-3-(2-methyl-6-oxo-1-pyridinyl)propanamide is Cc1cccc(=O)n1CCC(=O)N(C)Cc1cnn(-c2ccc(F)cc2)c1.
What is the InChIKey of N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-3-(2-methyl-6-oxo-1-pyridinyl)propanamide?
The InChIKey is ZOOXGCONSATDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-15-4-3-5-20(27)24(15)11-10-19(26)23(2)13-16-12-22-25(14-16)18-8-6-17(21)7-9-18/h3-9,12,14H,10-11,13H2,1-2H3.
What are the key properties of N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-3-(2-methyl-6-oxo-1-pyridinyl)propanamide?
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-3-(2-methyl-6-oxo-1-pyridinyl)propanamide has a molecular weight of 368.41 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-3-(2-methyl-6-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 70761761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).