5-(4-chlorophenyl)-7-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine

C17H14ClF2N5O — CID 135656900

IUPAC5-(4-chlorophenyl)-7-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
SMILESFC(F)Oc1ccccc1C1CC(c2ccc(Cl)cc2)Nc2nnnn21
InChIInChI=1S/C17H14ClF2N5O/c18-11-7-5-10(6-8-11)13-9-14(25-17(21-13)22-23-24-25)12-3-1-2-4-15(12)26-16(19)20/h1-8,13-14,16H,9H2,(H,21,22,24)
InChIKeyUFSAEWCSLGUODU-UHFFFAOYSA-N
MW377.78 g/mol
LogP4.07
Rot. Bonds4

About 5-(4-chlorophenyl)-7-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine

5-(4-chlorophenyl)-7-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine (PubChem CID 135656900) has the molecular formula C17H14ClF2N5O and a molecular weight of 377.78 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-7-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-7-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
PubChem CID135656900
Molecular FormulaC17H14ClF2N5O
Molecular Weight377.78 g/mol
Exact Mass377.09
IUPAC Name5-(4-chlorophenyl)-7-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
SMILESFC(F)Oc1ccccc1C1CC(c2ccc(Cl)cc2)Nc2nnnn21
InChIInChI=1S/C17H14ClF2N5O/c18-11-7-5-10(6-8-11)13-9-14(25-17(21-13)22-23-24-25)12-3-1-2-4-15(12)26-16(19)20/h1-8,13-14,16H,9H2,(H,21,22,24)
InChIKeyUFSAEWCSLGUODU-UHFFFAOYSA-N
XLogP4.07
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.78
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-7-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(4-chlorophenyl)-7-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine (CID 135656900) is 5-(4-chlorophenyl)-7-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(4-chlorophenyl)-7-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(4-chlorophenyl)-7-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine is FC(F)Oc1ccccc1C1CC(c2ccc(Cl)cc2)Nc2nnnn21.
What is the InChIKey of 5-(4-chlorophenyl)-7-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is UFSAEWCSLGUODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF2N5O/c18-11-7-5-10(6-8-11)13-9-14(25-17(21-13)22-23-24-25)12-3-1-2-4-15(12)26-16(19)20/h1-8,13-14,16H,9H2,(H,21,22,24).
What are the key properties of 5-(4-chlorophenyl)-7-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
5-(4-chlorophenyl)-7-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 377.78 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-7-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 135656900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).