1-(2,3-dichloro-4-pyrrolidin-1-ylphenyl)tetrazole

C11H11Cl2N5 — CID 119094004

IUPAC1-(2,3-dichloro-4-pyrrolidin-1-ylphenyl)tetrazole
SMILESClc1c(N2CCCC2)ccc(-n2cnnn2)c1Cl
InChIInChI=1S/C11H11Cl2N5/c12-10-8(17-5-1-2-6-17)3-4-9(11(10)13)18-7-14-15-16-18/h3-4,7H,1-2,5-6H2
InChIKeySJZNXGTUZRPJJM-UHFFFAOYSA-N
MW284.15 g/mol
LogP2.57
Rot. Bonds2

About 1-(2,3-dichloro-4-pyrrolidin-1-ylphenyl)tetrazole

1-(2,3-dichloro-4-pyrrolidin-1-ylphenyl)tetrazole (PubChem CID 119094004) has the molecular formula C11H11Cl2N5 and a molecular weight of 284.15 g/mol. Its IUPAC name is 1-(2,3-dichloro-4-pyrrolidin-1-ylphenyl)tetrazole.

Molecular Properties

Compound Name1-(2,3-dichloro-4-pyrrolidin-1-ylphenyl)tetrazole
PubChem CID119094004
Molecular FormulaC11H11Cl2N5
Molecular Weight284.15 g/mol
Exact Mass283.04
IUPAC Name1-(2,3-dichloro-4-pyrrolidin-1-ylphenyl)tetrazole
SMILESClc1c(N2CCCC2)ccc(-n2cnnn2)c1Cl
InChIInChI=1S/C11H11Cl2N5/c12-10-8(17-5-1-2-6-17)3-4-9(11(10)13)18-7-14-15-16-18/h3-4,7H,1-2,5-6H2
InChIKeySJZNXGTUZRPJJM-UHFFFAOYSA-N
XLogP2.57
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-bromo-3-chlorophenyl)tetrazole
CID 103480298
4-chloro-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide
CID 50776956
5-chloro-N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 167941397
N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]pentanamide
CID 50776994
1-[2,4-dichloro-3-(trifluoromethyl)phenyl]pyrrolidine
CID 168513028
2,3-dichloro-4-pyrrolidin-1-ylpyridine
CID 87606916
N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]cyclohexanecarboxamide
CID 50778527
1-(5-chloro-2-methylphenyl)tetrazole
CID 11586443
4-bromo-N-[2-piperidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide
CID 50777019
pyrrolidin-1-yl-[3-(tetrazol-1-yl)thiophen-2-yl]methanone
CID 47187933
3,5-dimethoxy-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide
CID 50776801
1-[5-chloro-2-(tetrazol-1-yl)benzoyl]piperidine-4-carboxamide
CID 39896622

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichloro-4-pyrrolidin-1-ylphenyl)tetrazole?
The IUPAC name of 1-(2,3-dichloro-4-pyrrolidin-1-ylphenyl)tetrazole (CID 119094004) is 1-(2,3-dichloro-4-pyrrolidin-1-ylphenyl)tetrazole.
What is the SMILES notation for 1-(2,3-dichloro-4-pyrrolidin-1-ylphenyl)tetrazole?
The canonical SMILES for 1-(2,3-dichloro-4-pyrrolidin-1-ylphenyl)tetrazole is Clc1c(N2CCCC2)ccc(-n2cnnn2)c1Cl.
What is the InChIKey of 1-(2,3-dichloro-4-pyrrolidin-1-ylphenyl)tetrazole?
The InChIKey is SJZNXGTUZRPJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N5/c12-10-8(17-5-1-2-6-17)3-4-9(11(10)13)18-7-14-15-16-18/h3-4,7H,1-2,5-6H2.
What are the key properties of 1-(2,3-dichloro-4-pyrrolidin-1-ylphenyl)tetrazole?
1-(2,3-dichloro-4-pyrrolidin-1-ylphenyl)tetrazole has a molecular weight of 284.15 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichloro-4-pyrrolidin-1-ylphenyl)tetrazole is sourced from PubChem (CID 119094004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).