N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopentanecarboxamide

C14H17N5O — CID 47047444

IUPACN-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopentanecarboxamide
SMILESCc1ccc(-n2cnnn2)cc1NC(=O)C1CCCC1
InChIInChI=1S/C14H17N5O/c1-10-6-7-12(19-9-15-17-18-19)8-13(10)16-14(20)11-4-2-3-5-11/h6-9,11H,2-5H2,1H3,(H,16,20)
InChIKeyZXXFJRJKMQUVTQ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.10
Rot. Bonds3

About N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopentanecarboxamide

N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopentanecarboxamide (PubChem CID 47047444) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopentanecarboxamide
PubChem CID47047444
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC NameN-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopentanecarboxamide
SMILESCc1ccc(-n2cnnn2)cc1NC(=O)C1CCCC1
InChIInChI=1S/C14H17N5O/c1-10-6-7-12(19-9-15-17-18-19)8-13(10)16-14(20)11-4-2-3-5-11/h6-9,11H,2-5H2,1H3,(H,16,20)
InChIKeyZXXFJRJKMQUVTQ-UHFFFAOYSA-N
XLogP2.10
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]cyclohexanecarboxamide
CID 50778527
2-[[2-methyl-5-(tetrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60940554
4-[(1R,2R)-2-hydroxycyclohexyl]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide
CID 133129447
N-(2,5-dimethylphenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 3214827
4-N-tert-butyl-1-N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzene-1,4-dicarboxamide
CID 48857945
(1R)-2,2-dichloro-1-methyl-N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide
CID 94001278
2-(tert-butylamino)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide
CID 78923820
5-hydroxy-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pentanamide
CID 79198857
2-methyl-N-[(1-methylpiperidin-2-yl)methyl]-5-(tetrazol-1-yl)aniline
CID 62654359
(3S)-N-(2-methylphenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 1456951
N-[2-methyl-5-(tetrazol-1-yl)phenyl]-2-(prop-2-enylamino)acetamide
CID 79285286
3-amino-4-[2-methyl-5-(tetrazol-1-yl)anilino]-4-oxobutanoic acid
CID 64895694

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopentanecarboxamide (CID 47047444) is N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopentanecarboxamide is Cc1ccc(-n2cnnn2)cc1NC(=O)C1CCCC1.
What is the InChIKey of N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopentanecarboxamide?
The InChIKey is ZXXFJRJKMQUVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-10-6-7-12(19-9-15-17-18-19)8-13(10)16-14(20)11-4-2-3-5-11/h6-9,11H,2-5H2,1H3,(H,16,20).
What are the key properties of N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopentanecarboxamide?
N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopentanecarboxamide has a molecular weight of 271.32 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 47047444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).