5-(3-chloro-4-ethoxyphenyl)-7-(2-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine

C18H15ClFN5O — CID 4100616

IUPAC5-(3-chloro-4-ethoxyphenyl)-7-(2-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCCOc1ccc(C2=CC(c3ccccc3F)n3nnnc3N2)cc1Cl
InChIInChI=1S/C18H15ClFN5O/c1-2-26-17-8-7-11(9-13(17)19)15-10-16(12-5-3-4-6-14(12)20)25-18(21-15)22-23-24-25/h3-10,16H,2H2,1H3,(H,21,22,24)
InChIKeyAWZZJPWUMZZGJM-UHFFFAOYSA-N
MW371.80 g/mol
LogP3.92
Rot. Bonds4

About 5-(3-chloro-4-ethoxyphenyl)-7-(2-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine

5-(3-chloro-4-ethoxyphenyl)-7-(2-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 4100616) has the molecular formula C18H15ClFN5O and a molecular weight of 371.80 g/mol. Its IUPAC name is 5-(3-chloro-4-ethoxyphenyl)-7-(2-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(3-chloro-4-ethoxyphenyl)-7-(2-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID4100616
Molecular FormulaC18H15ClFN5O
Molecular Weight371.80 g/mol
Exact Mass371.09
IUPAC Name5-(3-chloro-4-ethoxyphenyl)-7-(2-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCCOc1ccc(C2=CC(c3ccccc3F)n3nnnc3N2)cc1Cl
InChIInChI=1S/C18H15ClFN5O/c1-2-26-17-8-7-11(9-13(17)19)15-10-16(12-5-3-4-6-14(12)20)25-18(21-15)22-23-24-25/h3-10,16H,2H2,1H3,(H,21,22,24)
InChIKeyAWZZJPWUMZZGJM-UHFFFAOYSA-N
XLogP3.92
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.80
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-chloro-4-ethoxyphenyl)-7-(2,3-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 4157690
(7R)-5-(3-chloro-4-ethoxyphenyl)-7-[4-(difluoromethoxy)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 136736474
(7R)-5-(4-chlorophenyl)-7-(4-ethoxy-3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 136852417
7-(2-chlorophenyl)-5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3784860
5-(4-chlorophenyl)-7-(2-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 2921137
(7R)-7-(2-fluorophenyl)-5-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 135726819
7-(2-fluorophenyl)-5-(3-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 2968242
(7S)-7-(2-fluorophenyl)-5-(3-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 758413
(7R)-7-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 136736497
7-(2,4-dichlorophenyl)-5-(4-phenylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3526004
(7S)-5-(4-chlorophenyl)-7-(3,4-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 1088421
(7S)-7-(2,3-dichlorophenyl)-5-(4-phenylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 2016402

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-ethoxyphenyl)-7-(2-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(3-chloro-4-ethoxyphenyl)-7-(2-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 4100616) is 5-(3-chloro-4-ethoxyphenyl)-7-(2-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(3-chloro-4-ethoxyphenyl)-7-(2-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(3-chloro-4-ethoxyphenyl)-7-(2-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is CCOc1ccc(C2=CC(c3ccccc3F)n3nnnc3N2)cc1Cl.
What is the InChIKey of 5-(3-chloro-4-ethoxyphenyl)-7-(2-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is AWZZJPWUMZZGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN5O/c1-2-26-17-8-7-11(9-13(17)19)15-10-16(12-5-3-4-6-14(12)20)25-18(21-15)22-23-24-25/h3-10,16H,2H2,1H3,(H,21,22,24).
What are the key properties of 5-(3-chloro-4-ethoxyphenyl)-7-(2-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
5-(3-chloro-4-ethoxyphenyl)-7-(2-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 371.80 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-ethoxyphenyl)-7-(2-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4100616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).