3,4-dichloro-5-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline

C11H9Cl2N7 — CID 107199619

IUPAC3,4-dichloro-5-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline
SMILESCn1cc(-n2nnnc2-c2cc(N)cc(Cl)c2Cl)cn1
InChIInChI=1S/C11H9Cl2N7/c1-19-5-7(4-15-19)20-11(16-17-18-20)8-2-6(14)3-9(12)10(8)13/h2-5H,14H2,1H3
InChIKeyKFCQLEOGTWURGA-UHFFFAOYSA-N
MW310.15 g/mol
LogP1.95
Rot. Bonds2

About 3,4-dichloro-5-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline

3,4-dichloro-5-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline (PubChem CID 107199619) has the molecular formula C11H9Cl2N7 and a molecular weight of 310.15 g/mol. Its IUPAC name is 3,4-dichloro-5-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name3,4-dichloro-5-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline
PubChem CID107199619
Molecular FormulaC11H9Cl2N7
Molecular Weight310.15 g/mol
Exact Mass309.03
IUPAC Name3,4-dichloro-5-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline
SMILESCn1cc(-n2nnnc2-c2cc(N)cc(Cl)c2Cl)cn1
InChIInChI=1S/C11H9Cl2N7/c1-19-5-7(4-15-19)20-11(16-17-18-20)8-2-6(14)3-9(12)10(8)13/h2-5H,14H2,1H3
InChIKeyKFCQLEOGTWURGA-UHFFFAOYSA-N
XLogP1.95
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 51.95
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

4-chloro-3-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline
CID 79779855
2-chloro-3-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline
CID 112580511
4-methyl-2-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline
CID 79778936
4-methoxy-2-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline
CID 79779039
3,4-dichloro-5-[1-(3-methylcyclobutyl)tetrazol-5-yl]aniline
CID 107199675
3,4-dichloro-5-[1-(1-cyclopropylpropan-2-yl)tetrazol-5-yl]aniline
CID 107199568
3,4-dichloro-5-[1-[2-(2-methoxyethoxy)ethyl]tetrazol-5-yl]aniline
CID 107199505
4-chloro-3-[1-(1,3-dimethylpyrazol-4-yl)tetrazol-5-yl]aniline
CID 102807097
3-[1-(4-chlorophenyl)tetrazol-5-yl]-4-methylaniline
CID 61354046
3-[1-(4-bromophenyl)tetrazol-5-yl]-4-chloroaniline
CID 61377193
2-chloro-3-[1-(3,5-dimethylphenyl)tetrazol-5-yl]aniline
CID 115936198
3-chloro-4-[1-(3-ethyl-1-methylpyrazol-4-yl)tetrazol-5-yl]aniline
CID 107464532

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-5-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline?
The IUPAC name of 3,4-dichloro-5-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline (CID 107199619) is 3,4-dichloro-5-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline.
What is the SMILES notation for 3,4-dichloro-5-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline?
The canonical SMILES for 3,4-dichloro-5-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline is Cn1cc(-n2nnnc2-c2cc(N)cc(Cl)c2Cl)cn1.
What is the InChIKey of 3,4-dichloro-5-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline?
The InChIKey is KFCQLEOGTWURGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N7/c1-19-5-7(4-15-19)20-11(16-17-18-20)8-2-6(14)3-9(12)10(8)13/h2-5H,14H2,1H3.
What are the key properties of 3,4-dichloro-5-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline?
3,4-dichloro-5-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline has a molecular weight of 310.15 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-5-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline is sourced from PubChem (CID 107199619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).