4-(2-chlorophenyl)-N-(cyclopenten-1-yl)-N',N'-dimethyl-5-oxotetrazole-1-carbohydrazide

C15H17ClN6O2 — CID 58502310

IUPAC4-(2-chlorophenyl)-N-(cyclopenten-1-yl)-N',N'-dimethyl-5-oxotetrazole-1-carbohydrazide
SMILESCN(C)N(C(=O)n1nnn(-c2ccccc2Cl)c1=O)C1=CCCC1
InChIInChI=1S/C15H17ClN6O2/c1-19(2)22(11-7-3-4-8-11)15(24)21-14(23)20(17-18-21)13-10-6-5-9-12(13)16/h5-7,9-10H,3-4,8H2,1-2H3
InChIKeyWBONBDSMUKUSSD-UHFFFAOYSA-N
MW348.79 g/mol
LogP1.90
Rot. Bonds3

About 4-(2-chlorophenyl)-N-(cyclopenten-1-yl)-N',N'-dimethyl-5-oxotetrazole-1-carbohydrazide

4-(2-chlorophenyl)-N-(cyclopenten-1-yl)-N',N'-dimethyl-5-oxotetrazole-1-carbohydrazide (PubChem CID 58502310) has the molecular formula C15H17ClN6O2 and a molecular weight of 348.79 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-(cyclopenten-1-yl)-N',N'-dimethyl-5-oxotetrazole-1-carbohydrazide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-(cyclopenten-1-yl)-N',N'-dimethyl-5-oxotetrazole-1-carbohydrazide
PubChem CID58502310
Molecular FormulaC15H17ClN6O2
Molecular Weight348.79 g/mol
Exact Mass348.11
IUPAC Name4-(2-chlorophenyl)-N-(cyclopenten-1-yl)-N',N'-dimethyl-5-oxotetrazole-1-carbohydrazide
SMILESCN(C)N(C(=O)n1nnn(-c2ccccc2Cl)c1=O)C1=CCCC1
InChIInChI=1S/C15H17ClN6O2/c1-19(2)22(11-7-3-4-8-11)15(24)21-14(23)20(17-18-21)13-10-6-5-9-12(13)16/h5-7,9-10H,3-4,8H2,1-2H3
InChIKeyWBONBDSMUKUSSD-UHFFFAOYSA-N
XLogP1.90
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amidotetrazole', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(2-chlorophenyl)-N-(cyclopenten-1-yl)-N',N'-dimethyl-5-oxotetrazole-1-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-chlorophenyl)-N-cyclopentyl-N-ethyl-5-oxotetrazole-1-carboxamide
CID 15219374
4-(2-chlorophenyl)-N-cyclohexyl-5-oxo-N-propan-2-yltetrazole-1-carboxamide
CID 58502110
4-(2-chlorophenyl)-N-dodecyl-N-methyl-5-oxotetrazole-1-carboxamide
CID 58502051
4-(2-chlorophenyl)-5-oxo-N-phenyl-N-propyltetrazole-1-carboxamide
CID 123556058
2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 37238219
N-methyl-5-oxo-N,4-diphenyltetrazole-1-carboxamide
CID 14857263
1-(2-chlorophenyl)-4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]tetrazol-5-one
CID 24623009
2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-(2-cyanoethyl)-N-methylacetamide
CID 46583611
1-(2-chlorophenyl)-4-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]tetrazol-5-one
CID 41402586
1-[2-(1-adamantyl)-2-oxoethyl]-4-(2-chlorophenyl)tetrazol-5-one
CID 41402474
1-(2-chlorophenyl)-4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]tetrazol-5-one
CID 41402611
N-cyclohexyl-4-(2,6-dichlorophenyl)-N-(furan-2-ylmethyl)-5-oxotetrazole-1-carboxamide
CID 58502092

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-(cyclopenten-1-yl)-N',N'-dimethyl-5-oxotetrazole-1-carbohydrazide?
The IUPAC name of 4-(2-chlorophenyl)-N-(cyclopenten-1-yl)-N',N'-dimethyl-5-oxotetrazole-1-carbohydrazide (CID 58502310) is 4-(2-chlorophenyl)-N-(cyclopenten-1-yl)-N',N'-dimethyl-5-oxotetrazole-1-carbohydrazide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-(cyclopenten-1-yl)-N',N'-dimethyl-5-oxotetrazole-1-carbohydrazide?
The canonical SMILES for 4-(2-chlorophenyl)-N-(cyclopenten-1-yl)-N',N'-dimethyl-5-oxotetrazole-1-carbohydrazide is CN(C)N(C(=O)n1nnn(-c2ccccc2Cl)c1=O)C1=CCCC1.
What is the InChIKey of 4-(2-chlorophenyl)-N-(cyclopenten-1-yl)-N',N'-dimethyl-5-oxotetrazole-1-carbohydrazide?
The InChIKey is WBONBDSMUKUSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN6O2/c1-19(2)22(11-7-3-4-8-11)15(24)21-14(23)20(17-18-21)13-10-6-5-9-12(13)16/h5-7,9-10H,3-4,8H2,1-2H3.
What are the key properties of 4-(2-chlorophenyl)-N-(cyclopenten-1-yl)-N',N'-dimethyl-5-oxotetrazole-1-carbohydrazide?
4-(2-chlorophenyl)-N-(cyclopenten-1-yl)-N',N'-dimethyl-5-oxotetrazole-1-carbohydrazide has a molecular weight of 348.79 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-(cyclopenten-1-yl)-N',N'-dimethyl-5-oxotetrazole-1-carbohydrazide is sourced from PubChem (CID 58502310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).