2-chloro-3-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline

C11H10ClN7 — CID 112580511

IUPAC2-chloro-3-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline
SMILESCn1cc(-n2nnnc2-c2cccc(N)c2Cl)cn1
InChIInChI=1S/C11H10ClN7/c1-18-6-7(5-14-18)19-11(15-16-17-19)8-3-2-4-9(13)10(8)12/h2-6H,13H2,1H3
InChIKeySXOKWMPTXNORCZ-UHFFFAOYSA-N
MW275.70 g/mol
LogP1.30
Rot. Bonds2

About 2-chloro-3-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline

2-chloro-3-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline (PubChem CID 112580511) has the molecular formula C11H10ClN7 and a molecular weight of 275.70 g/mol. Its IUPAC name is 2-chloro-3-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name2-chloro-3-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline
PubChem CID112580511
Molecular FormulaC11H10ClN7
Molecular Weight275.70 g/mol
Exact Mass275.07
IUPAC Name2-chloro-3-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline
SMILESCn1cc(-n2nnnc2-c2cccc(N)c2Cl)cn1
InChIInChI=1S/C11H10ClN7/c1-18-6-7(5-14-18)19-11(15-16-17-19)8-3-2-4-9(13)10(8)12/h2-6H,13H2,1H3
InChIKeySXOKWMPTXNORCZ-UHFFFAOYSA-N
XLogP1.30
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.70
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-3-[1-(3,5-dimethylphenyl)tetrazol-5-yl]aniline
CID 115936198
2-chloro-3-[1-(3-methylphenyl)tetrazol-5-yl]aniline
CID 115936201
2-chloro-3-[1-(1,3-dimethylpyrazol-4-yl)tetrazol-5-yl]aniline
CID 102807107
4-chloro-3-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline
CID 79779855
3,4-dichloro-5-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline
CID 107199619
4-methyl-2-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline
CID 79778936
2-chloro-3-[1-(3,4-dichlorophenyl)tetrazol-5-yl]aniline
CID 115936156
2-chloro-3-[1-(4-chloro-3-fluorophenyl)tetrazol-5-yl]aniline
CID 115936231
4-methoxy-2-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline
CID 79779039
2-chloro-3-[1-(2-chlorophenyl)tetrazol-5-yl]aniline
CID 115936191
2-chloro-3-[1-(4-fluoro-2-methylphenyl)tetrazol-5-yl]aniline
CID 115936179
2-chloro-3-[1-(2,5-difluorophenyl)tetrazol-5-yl]aniline
CID 115936164

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline?
The IUPAC name of 2-chloro-3-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline (CID 112580511) is 2-chloro-3-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline.
What is the SMILES notation for 2-chloro-3-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline?
The canonical SMILES for 2-chloro-3-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline is Cn1cc(-n2nnnc2-c2cccc(N)c2Cl)cn1.
What is the InChIKey of 2-chloro-3-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline?
The InChIKey is SXOKWMPTXNORCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN7/c1-18-6-7(5-14-18)19-11(15-16-17-19)8-3-2-4-9(13)10(8)12/h2-6H,13H2,1H3.
What are the key properties of 2-chloro-3-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline?
2-chloro-3-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline has a molecular weight of 275.70 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline is sourced from PubChem (CID 112580511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).