1-[2-fluoro-4-(5-methyltetrazol-1-yl)benzoyl]-N,N-dimethylpyrrolidine-2-carboxamide

C16H19FN6O2 — CID 136545609

IUPAC1-[2-fluoro-4-(5-methyltetrazol-1-yl)benzoyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCc1nnnn1-c1ccc(C(=O)N2CCCC2C(=O)N(C)C)c(F)c1
InChIInChI=1S/C16H19FN6O2/c1-10-18-19-20-23(10)11-6-7-12(13(17)9-11)15(24)22-8-4-5-14(22)16(25)21(2)3/h6-7,9,14H,4-5,8H2,1-3H3
InChIKeySTWGYLGJKXOVGS-UHFFFAOYSA-N
MW346.37 g/mol
LogP0.80
Rot. Bonds3

About 1-[2-fluoro-4-(5-methyltetrazol-1-yl)benzoyl]-N,N-dimethylpyrrolidine-2-carboxamide

1-[2-fluoro-4-(5-methyltetrazol-1-yl)benzoyl]-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 136545609) has the molecular formula C16H19FN6O2 and a molecular weight of 346.37 g/mol. Its IUPAC name is 1-[2-fluoro-4-(5-methyltetrazol-1-yl)benzoyl]-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-fluoro-4-(5-methyltetrazol-1-yl)benzoyl]-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID136545609
Molecular FormulaC16H19FN6O2
Molecular Weight346.37 g/mol
Exact Mass346.16
IUPAC Name1-[2-fluoro-4-(5-methyltetrazol-1-yl)benzoyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCc1nnnn1-c1ccc(C(=O)N2CCCC2C(=O)N(C)C)c(F)c1
InChIInChI=1S/C16H19FN6O2/c1-10-18-19-20-23(10)11-6-7-12(13(17)9-11)15(24)22-8-4-5-14(22)16(25)21(2)3/h6-7,9,14H,4-5,8H2,1-3H3
InChIKeySTWGYLGJKXOVGS-UHFFFAOYSA-N
XLogP0.80
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(8aS)-1-[2-fluoro-4-(5-methyltetrazol-1-yl)benzoyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-one
CID 164634522
1-[2-fluoro-4-(5-methyltetrazol-1-yl)benzoyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-one
CID 136567057
1-(5-chloro-2-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60706860
1-(2-fluoropyridine-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 107358837
1-(4-chloro-5-fluoropyridine-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 126840807
1-(4,5-dihydroxy-2-methylbenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 167765690
1-(3-amino-4-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 43575377
1-(5-cyclopentylsulfonyl-2-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 119037219
1-(5-amino-2-chlorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 43575372
(3R)-5-[(2S)-2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]-2-(4-fluorophenyl)-3,4-dihydropyrazole-3-carboxamide
CID 97185167
1-(3-fluoro-4-nitrophenyl)-5-methyltetrazole
CID 170646036
1-(2,4-difluorobenzoyl)pyrrolidine-2-carboxylic acid
CID 13016788

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(5-methyltetrazol-1-yl)benzoyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-fluoro-4-(5-methyltetrazol-1-yl)benzoyl]-N,N-dimethylpyrrolidine-2-carboxamide (CID 136545609) is 1-[2-fluoro-4-(5-methyltetrazol-1-yl)benzoyl]-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-fluoro-4-(5-methyltetrazol-1-yl)benzoyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-fluoro-4-(5-methyltetrazol-1-yl)benzoyl]-N,N-dimethylpyrrolidine-2-carboxamide is Cc1nnnn1-c1ccc(C(=O)N2CCCC2C(=O)N(C)C)c(F)c1.
What is the InChIKey of 1-[2-fluoro-4-(5-methyltetrazol-1-yl)benzoyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is STWGYLGJKXOVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN6O2/c1-10-18-19-20-23(10)11-6-7-12(13(17)9-11)15(24)22-8-4-5-14(22)16(25)21(2)3/h6-7,9,14H,4-5,8H2,1-3H3.
What are the key properties of 1-[2-fluoro-4-(5-methyltetrazol-1-yl)benzoyl]-N,N-dimethylpyrrolidine-2-carboxamide?
1-[2-fluoro-4-(5-methyltetrazol-1-yl)benzoyl]-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 346.37 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-(5-methyltetrazol-1-yl)benzoyl]-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 136545609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).