4-chloro-N-[1-[1-(3-methylphenyl)tetrazol-5-yl]cyclopentyl]aniline

C19H20ClN5 — CID 50812242

IUPAC4-chloro-N-[1-[1-(3-methylphenyl)tetrazol-5-yl]cyclopentyl]aniline
SMILESCc1cccc(-n2nnnc2C2(Nc3ccc(Cl)cc3)CCCC2)c1
InChIInChI=1S/C19H20ClN5/c1-14-5-4-6-17(13-14)25-18(22-23-24-25)19(11-2-3-12-19)21-16-9-7-15(20)8-10-16/h4-10,13,21H,2-3,11-12H2,1H3
InChIKeyTYDJOUBCICZEOW-UHFFFAOYSA-N
MW353.86 g/mol
LogP4.51
Rot. Bonds4

About 4-chloro-N-[1-[1-(3-methylphenyl)tetrazol-5-yl]cyclopentyl]aniline

4-chloro-N-[1-[1-(3-methylphenyl)tetrazol-5-yl]cyclopentyl]aniline (PubChem CID 50812242) has the molecular formula C19H20ClN5 and a molecular weight of 353.86 g/mol. Its IUPAC name is 4-chloro-N-[1-[1-(3-methylphenyl)tetrazol-5-yl]cyclopentyl]aniline.

Molecular Properties

Compound Name4-chloro-N-[1-[1-(3-methylphenyl)tetrazol-5-yl]cyclopentyl]aniline
PubChem CID50812242
Molecular FormulaC19H20ClN5
Molecular Weight353.86 g/mol
Exact Mass353.14
IUPAC Name4-chloro-N-[1-[1-(3-methylphenyl)tetrazol-5-yl]cyclopentyl]aniline
SMILESCc1cccc(-n2nnnc2C2(Nc3ccc(Cl)cc3)CCCC2)c1
InChIInChI=1S/C19H20ClN5/c1-14-5-4-6-17(13-14)25-18(22-23-24-25)19(11-2-3-12-19)21-16-9-7-15(20)8-10-16/h4-10,13,21H,2-3,11-12H2,1H3
InChIKeyTYDJOUBCICZEOW-UHFFFAOYSA-N
XLogP4.51
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.86
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline
CID 30312166
4-methyl-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 40530101
3,5-dimethyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline
CID 30310073
N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline
CID 30312066
N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 30312108
3-methyl-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 30312170
N-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-4-methoxyaniline
CID 30309876
3-methoxy-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 30309923
ethyl 3-[5-[1-(4-methoxyanilino)cyclohexyl]tetrazol-1-yl]benzoate
CID 30309882
4-bromo-N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 2829520
2-methyl-N-[4-methyl-1-[1-(3-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 50812217
N-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methylaniline
CID 30312342

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[1-(3-methylphenyl)tetrazol-5-yl]cyclopentyl]aniline?
The IUPAC name of 4-chloro-N-[1-[1-(3-methylphenyl)tetrazol-5-yl]cyclopentyl]aniline (CID 50812242) is 4-chloro-N-[1-[1-(3-methylphenyl)tetrazol-5-yl]cyclopentyl]aniline.
What is the SMILES notation for 4-chloro-N-[1-[1-(3-methylphenyl)tetrazol-5-yl]cyclopentyl]aniline?
The canonical SMILES for 4-chloro-N-[1-[1-(3-methylphenyl)tetrazol-5-yl]cyclopentyl]aniline is Cc1cccc(-n2nnnc2C2(Nc3ccc(Cl)cc3)CCCC2)c1.
What is the InChIKey of 4-chloro-N-[1-[1-(3-methylphenyl)tetrazol-5-yl]cyclopentyl]aniline?
The InChIKey is TYDJOUBCICZEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5/c1-14-5-4-6-17(13-14)25-18(22-23-24-25)19(11-2-3-12-19)21-16-9-7-15(20)8-10-16/h4-10,13,21H,2-3,11-12H2,1H3.
What are the key properties of 4-chloro-N-[1-[1-(3-methylphenyl)tetrazol-5-yl]cyclopentyl]aniline?
4-chloro-N-[1-[1-(3-methylphenyl)tetrazol-5-yl]cyclopentyl]aniline has a molecular weight of 353.86 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[1-(3-methylphenyl)tetrazol-5-yl]cyclopentyl]aniline is sourced from PubChem (CID 50812242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).