N-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butanamide

C21H23F4N5O — CID 76903345

IUPACN-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butanamide
SMILESCCC(C(=O)Nc1cnn(-c2ccc(F)cc2)c1C(C)C)n1cc(C(F)(F)F)nc1C
InChIInChI=1S/C21H23F4N5O/c1-5-17(29-11-18(21(23,24)25)27-13(29)4)20(31)28-16-10-26-30(19(16)12(2)3)15-8-6-14(22)7-9-15/h6-12,17H,5H2,1-4H3,(H,28,31)
InChIKeyZJLNJPGNEVYFKD-UHFFFAOYSA-N
MW437.44 g/mol
LogP5.25
Rot. Bonds6

About N-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butanamide

N-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butanamide (PubChem CID 76903345) has the molecular formula C21H23F4N5O and a molecular weight of 437.44 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butanamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butanamide
PubChem CID76903345
Molecular FormulaC21H23F4N5O
Molecular Weight437.44 g/mol
Exact Mass437.18
IUPAC NameN-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butanamide
SMILESCCC(C(=O)Nc1cnn(-c2ccc(F)cc2)c1C(C)C)n1cc(C(F)(F)F)nc1C
InChIInChI=1S/C21H23F4N5O/c1-5-17(29-11-18(21(23,24)25)27-13(29)4)20(31)28-16-10-26-30(19(16)12(2)3)15-8-6-14(22)7-9-15/h6-12,17H,5H2,1-4H3,(H,28,31)
InChIKeyZJLNJPGNEVYFKD-UHFFFAOYSA-N
XLogP5.25
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.44
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-carbamimidoylphenyl)-N-[4-(1H-imidazol-1-yl)phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 18549509
N-((R)-1-(4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidin-2-ylamino)phenyl)pyrrolidin-3-yl)acetamide
CID 44578693
(6S)-7-[(3,4-difluorophenyl)methyl]-6-methyl-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one
CID 129136448
(2S)-1-(4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidin-2-ylamino)phenyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 44578694
SCD1 inhibitor-4
CID 51346908
US10889564, Example 48
CID 129104749
6-cyclopropyl-3-(2-oxo-4-pyrimidin-2-ylpyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 150682748
6-cyclopropyl-3-[4-(5-fluoropyrimidin-2-yl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 152579380
1H-Pyrazole-3-carboxamide, N-[3-[(6R)-8-amino-5,6-dihydro-6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]-4-fluorophenyl]-1-(difluoromethyl)-
CID 71449474
7-[1,3-dimethyl-5-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-2,5-dimethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 137650043
N-[1-(4-imidazol-1-ylphenyl)ethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 4405336
N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-fluoro-2-methylpropanamide
CID 46189102

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butanamide?
The IUPAC name of N-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butanamide (CID 76903345) is N-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butanamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butanamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butanamide is CCC(C(=O)Nc1cnn(-c2ccc(F)cc2)c1C(C)C)n1cc(C(F)(F)F)nc1C.
What is the InChIKey of N-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butanamide?
The InChIKey is ZJLNJPGNEVYFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F4N5O/c1-5-17(29-11-18(21(23,24)25)27-13(29)4)20(31)28-16-10-26-30(19(16)12(2)3)15-8-6-14(22)7-9-15/h6-12,17H,5H2,1-4H3,(H,28,31).
What are the key properties of N-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butanamide?
N-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butanamide has a molecular weight of 437.44 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butanamide is sourced from PubChem (CID 76903345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).