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

C17H20FN7O — CID 118782252

IUPACN-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-(tetrazol-1-yl)butanamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1CNC(=O)CCCn1cnnn1
InChIInChI=1S/C17H20FN7O/c1-12-16(10-19-17(26)4-3-9-24-11-20-22-23-24)13(2)25(21-12)15-7-5-14(18)6-8-15/h5-8,11H,3-4,9-10H2,1-2H3,(H,19,26)
InChIKeyUBVVVZAFRAQLCP-UHFFFAOYSA-N
MW357.39 g/mol
LogP1.71
Rot. Bonds7

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

N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-(tetrazol-1-yl)butanamide (PubChem CID 118782252) has the molecular formula C17H20FN7O and a molecular weight of 357.39 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-(tetrazol-1-yl)butanamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-(tetrazol-1-yl)butanamide
PubChem CID118782252
Molecular FormulaC17H20FN7O
Molecular Weight357.39 g/mol
Exact Mass357.17
IUPAC NameN-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-(tetrazol-1-yl)butanamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1CNC(=O)CCCn1cnnn1
InChIInChI=1S/C17H20FN7O/c1-12-16(10-19-17(26)4-3-9-24-11-20-22-23-24)13(2)25(21-12)15-7-5-14(18)6-8-15/h5-8,11H,3-4,9-10H2,1-2H3,(H,19,26)
InChIKeyUBVVVZAFRAQLCP-UHFFFAOYSA-N
XLogP1.71
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(ethylamino)-2-oxoethyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 86997975
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-phenoxybutanamide
CID 46653199
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-fluorophenoxy)propanamide
CID 134013923
N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
CID 42406987
N-[2-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]ethyl]-2-methylpropanamide
CID 47044914
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 86825769
2-(ethylamino)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]pyrimidine-5-carboxamide
CID 72856313
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-methoxypropanamide
CID 35760836
N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetamide
CID 26349215
(2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]butanamide
CID 51593677
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-oxo-4-phenylbutanamide
CID 134013965
N-[3-(aminomethyl)pentan-3-yl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide;hydrochloride
CID 119570615

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-(tetrazol-1-yl)butanamide?
The IUPAC name of N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-(tetrazol-1-yl)butanamide (CID 118782252) is N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-(tetrazol-1-yl)butanamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-(tetrazol-1-yl)butanamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-(tetrazol-1-yl)butanamide is Cc1nn(-c2ccc(F)cc2)c(C)c1CNC(=O)CCCn1cnnn1.
What is the InChIKey of N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-(tetrazol-1-yl)butanamide?
The InChIKey is UBVVVZAFRAQLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN7O/c1-12-16(10-19-17(26)4-3-9-24-11-20-22-23-24)13(2)25(21-12)15-7-5-14(18)6-8-15/h5-8,11H,3-4,9-10H2,1-2H3,(H,19,26).
What are the key properties of N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-(tetrazol-1-yl)butanamide?
N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-(tetrazol-1-yl)butanamide has a molecular weight of 357.39 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-(tetrazol-1-yl)butanamide is sourced from PubChem (CID 118782252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).