7-cyclohexyl-3-(2H-tetrazol-5-yl)-6-[3-[[3-(trifluoromethoxy)phenyl]methoxy]phenyl]pyrazolo[1,5-a]pyrimidine

C27H24F3N7O2 — CID 15957998

IUPAC7-cyclohexyl-3-(2H-tetrazol-5-yl)-6-[3-[[3-(trifluoromethoxy)phenyl]methoxy]phenyl]pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)Oc1cccc(COc2cccc(-c3cnc4c(-c5nn[nH]n5)cnn4c3C3CCCCC3)c2)c1
InChIInChI=1S/C27H24F3N7O2/c28-27(29,30)39-21-11-4-6-17(12-21)16-38-20-10-5-9-19(13-20)22-14-31-26-23(25-33-35-36-34-25)15-32-37(26)24(22)18-7-2-1-3-8-18/h4-6,9-15,18H,1-3,7-8,16H2,(H,33,34,35,36)
InChIKeyCACSEXGDPGMJFW-UHFFFAOYSA-N
MW535.53 g/mol
LogP6.10
Rot. Bonds7

About 7-cyclohexyl-3-(2H-tetrazol-5-yl)-6-[3-[[3-(trifluoromethoxy)phenyl]methoxy]phenyl]pyrazolo[1,5-a]pyrimidine

7-cyclohexyl-3-(2H-tetrazol-5-yl)-6-[3-[[3-(trifluoromethoxy)phenyl]methoxy]phenyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 15957998) has the molecular formula C27H24F3N7O2 and a molecular weight of 535.53 g/mol. Its IUPAC name is 7-cyclohexyl-3-(2H-tetrazol-5-yl)-6-[3-[[3-(trifluoromethoxy)phenyl]methoxy]phenyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-cyclohexyl-3-(2H-tetrazol-5-yl)-6-[3-[[3-(trifluoromethoxy)phenyl]methoxy]phenyl]pyrazolo[1,5-a]pyrimidine
PubChem CID15957998
Molecular FormulaC27H24F3N7O2
Molecular Weight535.53 g/mol
Exact Mass535.19
IUPAC Name7-cyclohexyl-3-(2H-tetrazol-5-yl)-6-[3-[[3-(trifluoromethoxy)phenyl]methoxy]phenyl]pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)Oc1cccc(COc2cccc(-c3cnc4c(-c5nn[nH]n5)cnn4c3C3CCCCC3)c2)c1
InChIInChI=1S/C27H24F3N7O2/c28-27(29,30)39-21-11-4-6-17(12-21)16-38-20-10-5-9-19(13-20)22-14-31-26-23(25-33-35-36-34-25)15-32-37(26)24(22)18-7-2-1-3-8-18/h4-6,9-15,18H,1-3,7-8,16H2,(H,33,34,35,36)
InChIKeyCACSEXGDPGMJFW-UHFFFAOYSA-N
XLogP6.10
TPSA103.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.53
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-cyclohexyl-3-(2H-tetrazol-5-yl)-6-[3-[[3-(trifluoromethoxy)phenyl]methoxy]phenyl]pyrazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-3-(2H-tetrazol-5-yl)-6-[3-[[3-(trifluoromethoxy)phenyl]methoxy]phenyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-cyclohexyl-3-(2H-tetrazol-5-yl)-6-[3-[[3-(trifluoromethoxy)phenyl]methoxy]phenyl]pyrazolo[1,5-a]pyrimidine (CID 15957998) is 7-cyclohexyl-3-(2H-tetrazol-5-yl)-6-[3-[[3-(trifluoromethoxy)phenyl]methoxy]phenyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-cyclohexyl-3-(2H-tetrazol-5-yl)-6-[3-[[3-(trifluoromethoxy)phenyl]methoxy]phenyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-cyclohexyl-3-(2H-tetrazol-5-yl)-6-[3-[[3-(trifluoromethoxy)phenyl]methoxy]phenyl]pyrazolo[1,5-a]pyrimidine is FC(F)(F)Oc1cccc(COc2cccc(-c3cnc4c(-c5nn[nH]n5)cnn4c3C3CCCCC3)c2)c1.
What is the InChIKey of 7-cyclohexyl-3-(2H-tetrazol-5-yl)-6-[3-[[3-(trifluoromethoxy)phenyl]methoxy]phenyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is CACSEXGDPGMJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F3N7O2/c28-27(29,30)39-21-11-4-6-17(12-21)16-38-20-10-5-9-19(13-20)22-14-31-26-23(25-33-35-36-34-25)15-32-37(26)24(22)18-7-2-1-3-8-18/h4-6,9-15,18H,1-3,7-8,16H2,(H,33,34,35,36).
What are the key properties of 7-cyclohexyl-3-(2H-tetrazol-5-yl)-6-[3-[[3-(trifluoromethoxy)phenyl]methoxy]phenyl]pyrazolo[1,5-a]pyrimidine?
7-cyclohexyl-3-(2H-tetrazol-5-yl)-6-[3-[[3-(trifluoromethoxy)phenyl]methoxy]phenyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 535.53 g/mol, XLogP of 6.10, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-3-(2H-tetrazol-5-yl)-6-[3-[[3-(trifluoromethoxy)phenyl]methoxy]phenyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 15957998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).