4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[1-(2-methylpyrazol-3-yl)propyl]butanamide

C18H22FN7O — CID 135095450

IUPAC4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[1-(2-methylpyrazol-3-yl)propyl]butanamide
SMILESCCC(NC(=O)CCCn1nnc(-c2ccc(F)cc2)n1)c1ccnn1C
InChIInChI=1S/C18H22FN7O/c1-3-15(16-10-11-20-25(16)2)21-17(27)5-4-12-26-23-18(22-24-26)13-6-8-14(19)9-7-13/h6-11,15H,3-5,12H2,1-2H3,(H,21,27)
InChIKeyZCHBXGGUQXJJKJ-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.26
Rot. Bonds8

About 4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[1-(2-methylpyrazol-3-yl)propyl]butanamide

4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[1-(2-methylpyrazol-3-yl)propyl]butanamide (PubChem CID 135095450) has the molecular formula C18H22FN7O and a molecular weight of 371.42 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[1-(2-methylpyrazol-3-yl)propyl]butanamide.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[1-(2-methylpyrazol-3-yl)propyl]butanamide
PubChem CID135095450
Molecular FormulaC18H22FN7O
Molecular Weight371.42 g/mol
Exact Mass371.19
IUPAC Name4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[1-(2-methylpyrazol-3-yl)propyl]butanamide
SMILESCCC(NC(=O)CCCn1nnc(-c2ccc(F)cc2)n1)c1ccnn1C
InChIInChI=1S/C18H22FN7O/c1-3-15(16-10-11-20-25(16)2)21-17(27)5-4-12-26-23-18(22-24-26)13-6-8-14(19)9-7-13/h6-11,15H,3-5,12H2,1-2H3,(H,21,27)
InChIKeyZCHBXGGUQXJJKJ-UHFFFAOYSA-N
XLogP2.26
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 124757424
4-[5-(4-fluorophenyl)tetrazol-2-yl]butanamide
CID 552573
4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 99972025
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-[5-(4-fluorophenyl)tetrazol-2-yl]butanamide
CID 156587114
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-4-(5-phenyltetrazol-2-yl)butanamide
CID 95295934
4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methoxycyclohexyl)butanamide
CID 163318125
N-[1-(2-methylphenyl)propan-2-yl]-4-(5-phenyltetrazol-2-yl)butanamide
CID 47085930
6-(5-phenyltetrazol-2-yl)hexan-3-one
CID 104623292
4-(1-methyl-6-oxopyridazin-3-yl)-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]benzamide
CID 125437307
N-[[(2R)-butan-2-yl]carbamoyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 7713348
1-[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-4-[5-(4-fluorophenyl)tetrazol-2-yl]butan-1-one
CID 133125539
2-(dimethylcarbamoylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide
CID 91796797

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[1-(2-methylpyrazol-3-yl)propyl]butanamide?
The IUPAC name of 4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[1-(2-methylpyrazol-3-yl)propyl]butanamide (CID 135095450) is 4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[1-(2-methylpyrazol-3-yl)propyl]butanamide.
What is the SMILES notation for 4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[1-(2-methylpyrazol-3-yl)propyl]butanamide?
The canonical SMILES for 4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[1-(2-methylpyrazol-3-yl)propyl]butanamide is CCC(NC(=O)CCCn1nnc(-c2ccc(F)cc2)n1)c1ccnn1C.
What is the InChIKey of 4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[1-(2-methylpyrazol-3-yl)propyl]butanamide?
The InChIKey is ZCHBXGGUQXJJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN7O/c1-3-15(16-10-11-20-25(16)2)21-17(27)5-4-12-26-23-18(22-24-26)13-6-8-14(19)9-7-13/h6-11,15H,3-5,12H2,1-2H3,(H,21,27).
What are the key properties of 4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[1-(2-methylpyrazol-3-yl)propyl]butanamide?
4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[1-(2-methylpyrazol-3-yl)propyl]butanamide has a molecular weight of 371.42 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[1-(2-methylpyrazol-3-yl)propyl]butanamide is sourced from PubChem (CID 135095450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).