(2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]butanamide

C21H26FN5O — CID 51593677

IUPAC(2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]butanamide
SMILESCC[C@H](C(=O)NCc1c(C)nn(-c2ccc(F)cc2)c1C)n1nc(C)cc1C
InChIInChI=1S/C21H26FN5O/c1-6-20(26-14(3)11-13(2)24-26)21(28)23-12-19-15(4)25-27(16(19)5)18-9-7-17(22)8-10-18/h7-11,20H,6,12H2,1-5H3,(H,23,28)/t20-/m1/s1
InChIKeyCEOGWGUOHHIFTA-HXUWFJFHSA-N
MW383.47 g/mol
LogP3.71
Rot. Bonds6

About (2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]butanamide

(2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]butanamide (PubChem CID 51593677) has the molecular formula C21H26FN5O and a molecular weight of 383.47 g/mol. Its IUPAC name is (2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]butanamide.

Molecular Properties

Compound Name(2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]butanamide
PubChem CID51593677
Molecular FormulaC21H26FN5O
Molecular Weight383.47 g/mol
Exact Mass383.21
IUPAC Name(2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]butanamide
SMILESCC[C@H](C(=O)NCc1c(C)nn(-c2ccc(F)cc2)c1C)n1nc(C)cc1C
InChIInChI=1S/C21H26FN5O/c1-6-20(26-14(3)11-13(2)24-26)21(28)23-12-19-15(4)25-27(16(19)5)18-9-7-17(22)8-10-18/h7-11,20H,6,12H2,1-5H3,(H,23,28)/t20-/m1/s1
InChIKeyCEOGWGUOHHIFTA-HXUWFJFHSA-N
XLogP3.71
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-(ethylamino)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]pyrimidine-5-carboxamide
CID 72856313
N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 55855558
N-[2-(ethylamino)-2-oxoethyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 86997975
1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]-3,3-dimethylbutan-2-ol
CID 111119123
N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-(tetrazol-1-yl)butanamide
CID 118782252
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CID 119607523
N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2,6-dimethoxypyrimidine-4-carboxamide
CID 46969103
N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 131944912
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
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N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]butanamide?
The IUPAC name of (2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]butanamide (CID 51593677) is (2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]butanamide.
What is the SMILES notation for (2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]butanamide?
The canonical SMILES for (2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]butanamide is CC[C@H](C(=O)NCc1c(C)nn(-c2ccc(F)cc2)c1C)n1nc(C)cc1C.
What is the InChIKey of (2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]butanamide?
The InChIKey is CEOGWGUOHHIFTA-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H26FN5O/c1-6-20(26-14(3)11-13(2)24-26)21(28)23-12-19-15(4)25-27(16(19)5)18-9-7-17(22)8-10-18/h7-11,20H,6,12H2,1-5H3,(H,23,28)/t20-/m1/s1.
What are the key properties of (2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]butanamide?
(2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]butanamide has a molecular weight of 383.47 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]butanamide is sourced from PubChem (CID 51593677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).