1-(5-chloro-2-methylphenyl)-5-[phenyl(pyrrolidin-1-yl)methyl]tetrazole

C19H20ClN5 — CID 171977006

IUPAC1-(5-chloro-2-methylphenyl)-5-[phenyl(pyrrolidin-1-yl)methyl]tetrazole
SMILESCc1ccc(Cl)cc1-n1nnnc1C(c1ccccc1)N1CCCC1
InChIInChI=1S/C19H20ClN5/c1-14-9-10-16(20)13-17(14)25-19(21-22-23-25)18(24-11-5-6-12-24)15-7-3-2-4-8-15/h2-4,7-10,13,18H,5-6,11-12H2,1H3
InChIKeyXFZQKSXHJZDQOF-UHFFFAOYSA-N
MW353.86 g/mol
LogP3.81
Rot. Bonds4

About 1-(5-chloro-2-methylphenyl)-5-[phenyl(pyrrolidin-1-yl)methyl]tetrazole

1-(5-chloro-2-methylphenyl)-5-[phenyl(pyrrolidin-1-yl)methyl]tetrazole (PubChem CID 171977006) has the molecular formula C19H20ClN5 and a molecular weight of 353.86 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-5-[phenyl(pyrrolidin-1-yl)methyl]tetrazole.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-5-[phenyl(pyrrolidin-1-yl)methyl]tetrazole
PubChem CID171977006
Molecular FormulaC19H20ClN5
Molecular Weight353.86 g/mol
Exact Mass353.14
IUPAC Name1-(5-chloro-2-methylphenyl)-5-[phenyl(pyrrolidin-1-yl)methyl]tetrazole
SMILESCc1ccc(Cl)cc1-n1nnnc1C(c1ccccc1)N1CCCC1
InChIInChI=1S/C19H20ClN5/c1-14-9-10-16(20)13-17(14)25-19(21-22-23-25)18(24-11-5-6-12-24)15-7-3-2-4-8-15/h2-4,7-10,13,18H,5-6,11-12H2,1H3
InChIKeyXFZQKSXHJZDQOF-UHFFFAOYSA-N
XLogP3.81
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.86
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[1-(3-chlorophenyl)tetrazol-5-yl]-phenylmethyl]piperidine
CID 122174375
4-[[1-(5-chloro-2-methylphenyl)tetrazol-5-yl]-(4-nitrophenyl)methyl]morpholine
CID 171982046
1-[(2-chlorophenyl)-[1-(3-chlorophenyl)tetrazol-5-yl]methyl]piperidine
CID 122174373
1-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-(2,5-dimethylphenyl)piperazine
CID 1443349
1-(5-chloro-2-methylphenyl)-5-(1-pyrrolidin-1-ylcyclopentyl)tetrazole
CID 30617981
2-[1-(5-chloro-2-methylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid
CID 82366590
1-[(S)-(4-chlorophenyl)-(1-propan-2-yltetrazol-5-yl)methyl]-4-phenylpiperazine
CID 7388615
N-[(3-chlorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine
CID 2867833
4-[(2-chlorophenyl)-[1-(3-chlorophenyl)tetrazol-5-yl]methyl]morpholine
CID 3573370
1-(3-chlorophenyl)-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine
CID 51684897
3-[(R)-(1-benzyltetrazol-5-yl)-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-8-methyl-1H-quinolin-2-one
CID 1158410
1-[(S)-(4-chlorophenyl)-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]methyl]piperidine
CID 1432366

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-5-[phenyl(pyrrolidin-1-yl)methyl]tetrazole?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-5-[phenyl(pyrrolidin-1-yl)methyl]tetrazole (CID 171977006) is 1-(5-chloro-2-methylphenyl)-5-[phenyl(pyrrolidin-1-yl)methyl]tetrazole.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-5-[phenyl(pyrrolidin-1-yl)methyl]tetrazole?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-5-[phenyl(pyrrolidin-1-yl)methyl]tetrazole is Cc1ccc(Cl)cc1-n1nnnc1C(c1ccccc1)N1CCCC1.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-5-[phenyl(pyrrolidin-1-yl)methyl]tetrazole?
The InChIKey is XFZQKSXHJZDQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5/c1-14-9-10-16(20)13-17(14)25-19(21-22-23-25)18(24-11-5-6-12-24)15-7-3-2-4-8-15/h2-4,7-10,13,18H,5-6,11-12H2,1H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)-5-[phenyl(pyrrolidin-1-yl)methyl]tetrazole?
1-(5-chloro-2-methylphenyl)-5-[phenyl(pyrrolidin-1-yl)methyl]tetrazole has a molecular weight of 353.86 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-5-[phenyl(pyrrolidin-1-yl)methyl]tetrazole is sourced from PubChem (CID 171977006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).