N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]cyclopentanecarboxamide

C16H21N5O — CID 7216950

IUPACN-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]cyclopentanecarboxamide
SMILESCc1ccc(-n2nnnc2CNC(=O)C2CCCC2)cc1C
InChIInChI=1S/C16H21N5O/c1-11-7-8-14(9-12(11)2)21-15(18-19-20-21)10-17-16(22)13-5-3-4-6-13/h7-9,13H,3-6,10H2,1-2H3,(H,17,22)
InChIKeyYVNJWGNRTCYTET-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.09
Rot. Bonds4

About N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]cyclopentanecarboxamide

N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]cyclopentanecarboxamide (PubChem CID 7216950) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]cyclopentanecarboxamide
PubChem CID7216950
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC NameN-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]cyclopentanecarboxamide
SMILESCc1ccc(-n2nnnc2CNC(=O)C2CCCC2)cc1C
InChIInChI=1S/C16H21N5O/c1-11-7-8-14(9-12(11)2)21-15(18-19-20-21)10-17-16(22)13-5-3-4-6-13/h7-9,13H,3-6,10H2,1-2H3,(H,17,22)
InChIKeyYVNJWGNRTCYTET-UHFFFAOYSA-N
XLogP2.09
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]cyclopentanecarboxamide?
The IUPAC name of N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]cyclopentanecarboxamide (CID 7216950) is N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]cyclopentanecarboxamide is Cc1ccc(-n2nnnc2CNC(=O)C2CCCC2)cc1C.
What is the InChIKey of N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]cyclopentanecarboxamide?
The InChIKey is YVNJWGNRTCYTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-11-7-8-14(9-12(11)2)21-15(18-19-20-21)10-17-16(22)13-5-3-4-6-13/h7-9,13H,3-6,10H2,1-2H3,(H,17,22).
What are the key properties of N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]cyclopentanecarboxamide?
N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]cyclopentanecarboxamide has a molecular weight of 299.38 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]cyclopentanecarboxamide is sourced from PubChem (CID 7216950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).