N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-4-(4-fluorophenyl)butanamide

C17H22FN3O — CID 134702201

IUPACN-(4-ethyl-1,3-dimethylpyrazol-5-yl)-4-(4-fluorophenyl)butanamide
SMILESCCc1c(C)nn(C)c1NC(=O)CCCc1ccc(F)cc1
InChIInChI=1S/C17H22FN3O/c1-4-15-12(2)20-21(3)17(15)19-16(22)7-5-6-13-8-10-14(18)11-9-13/h8-11H,4-7H2,1-3H3,(H,19,22)
InChIKeyMMCWRJFGERTJGO-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.39
Rot. Bonds6

About N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-4-(4-fluorophenyl)butanamide

N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-4-(4-fluorophenyl)butanamide (PubChem CID 134702201) has the molecular formula C17H22FN3O and a molecular weight of 303.38 g/mol. Its IUPAC name is N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-4-(4-fluorophenyl)butanamide.

Molecular Properties

Compound NameN-(4-ethyl-1,3-dimethylpyrazol-5-yl)-4-(4-fluorophenyl)butanamide
PubChem CID134702201
Molecular FormulaC17H22FN3O
Molecular Weight303.38 g/mol
Exact Mass303.17
IUPAC NameN-(4-ethyl-1,3-dimethylpyrazol-5-yl)-4-(4-fluorophenyl)butanamide
SMILESCCc1c(C)nn(C)c1NC(=O)CCCc1ccc(F)cc1
InChIInChI=1S/C17H22FN3O/c1-4-15-12(2)20-21(3)17(15)19-16(22)7-5-6-13-8-10-14(18)11-9-13/h8-11H,4-7H2,1-3H3,(H,19,22)
InChIKeyMMCWRJFGERTJGO-UHFFFAOYSA-N
XLogP3.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-(3,4,5-trifluorophenyl)acetamide
CID 134712047
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-(4-chlorophenyl)butanamide
CID 56535902
N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-(3-methoxyphenyl)acetamide
CID 134700057
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(4-fluorophenyl)propanamide
CID 51334598
N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-4-(4-methylpiperazin-1-yl)pentanamide
CID 134701340
N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-pyridin-4-ylpropanamide
CID 134695978
2-[(4-fluorophenyl)methyl-pentylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 86911666
4-(4-fluorophenyl)-N-[4-(2-hydrazinylethyl)phenyl]butanamide
CID 77014312
N-(4-acetamidobutyl)-4-(4-fluorophenyl)butanamide
CID 110355184
4-(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]butanamide
CID 110605887
methyl 2-[4-(4-fluorophenyl)butanoylamino]benzoate
CID 110356101
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-3-(4-fluorophenoxy)propanamide
CID 56573561

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-4-(4-fluorophenyl)butanamide?
The IUPAC name of N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-4-(4-fluorophenyl)butanamide (CID 134702201) is N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-4-(4-fluorophenyl)butanamide.
What is the SMILES notation for N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-4-(4-fluorophenyl)butanamide?
The canonical SMILES for N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-4-(4-fluorophenyl)butanamide is CCc1c(C)nn(C)c1NC(=O)CCCc1ccc(F)cc1.
What is the InChIKey of N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-4-(4-fluorophenyl)butanamide?
The InChIKey is MMCWRJFGERTJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O/c1-4-15-12(2)20-21(3)17(15)19-16(22)7-5-6-13-8-10-14(18)11-9-13/h8-11H,4-7H2,1-3H3,(H,19,22).
What are the key properties of N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-4-(4-fluorophenyl)butanamide?
N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-4-(4-fluorophenyl)butanamide has a molecular weight of 303.38 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-4-(4-fluorophenyl)butanamide is sourced from PubChem (CID 134702201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).