7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-phenylpyrazolo[1,5-a]pyrimidine

C23H19F2N3O2 — CID 24776131

IUPAC7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-phenylpyrazolo[1,5-a]pyrimidine
SMILESFC(F)Oc1ccc(-c2ccnc3cc(-c4ccccc4)nn23)cc1OCC1CC1
InChIInChI=1S/C23H19F2N3O2/c24-23(25)30-20-9-8-17(12-21(20)29-14-15-6-7-15)19-10-11-26-22-13-18(27-28(19)22)16-4-2-1-3-5-16/h1-5,8-13,15,23H,6-7,14H2
InChIKeyYTHDHWAAWWAEPI-UHFFFAOYSA-N
MW407.42 g/mol
LogP5.45
Rot. Bonds7

About 7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-phenylpyrazolo[1,5-a]pyrimidine

7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-phenylpyrazolo[1,5-a]pyrimidine (PubChem CID 24776131) has the molecular formula C23H19F2N3O2 and a molecular weight of 407.42 g/mol. Its IUPAC name is 7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-phenylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-phenylpyrazolo[1,5-a]pyrimidine
PubChem CID24776131
Molecular FormulaC23H19F2N3O2
Molecular Weight407.42 g/mol
Exact Mass407.14
IUPAC Name7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-phenylpyrazolo[1,5-a]pyrimidine
SMILESFC(F)Oc1ccc(-c2ccnc3cc(-c4ccccc4)nn23)cc1OCC1CC1
InChIInChI=1S/C23H19F2N3O2/c24-23(25)30-20-9-8-17(12-21(20)29-14-15-6-7-15)19-10-11-26-22-13-18(27-28(19)22)16-4-2-1-3-5-16/h1-5,8-13,15,23H,6-7,14H2
InChIKeyYTHDHWAAWWAEPI-UHFFFAOYSA-N
XLogP5.45
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.42
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-phenylpyrazolo[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-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-phenylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-phenylpyrazolo[1,5-a]pyrimidine (CID 24776131) is 7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-phenylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-phenylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-phenylpyrazolo[1,5-a]pyrimidine is FC(F)Oc1ccc(-c2ccnc3cc(-c4ccccc4)nn23)cc1OCC1CC1.
What is the InChIKey of 7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-phenylpyrazolo[1,5-a]pyrimidine?
The InChIKey is YTHDHWAAWWAEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O2/c24-23(25)30-20-9-8-17(12-21(20)29-14-15-6-7-15)19-10-11-26-22-13-18(27-28(19)22)16-4-2-1-3-5-16/h1-5,8-13,15,23H,6-7,14H2.
What are the key properties of 7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-phenylpyrazolo[1,5-a]pyrimidine?
7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-phenylpyrazolo[1,5-a]pyrimidine has a molecular weight of 407.42 g/mol, XLogP of 5.45, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-phenylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 24776131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).