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

C23H17Cl2F2N3O2 — CID 24774843

IUPAC7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(2,5-dichlorophenyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)Oc1ccc(-c2ccnc3cc(-c4cc(Cl)ccc4Cl)nn23)cc1OCC1CC1
InChIInChI=1S/C23H17Cl2F2N3O2/c24-15-4-5-17(25)16(10-15)18-11-22-28-8-7-19(30(22)29-18)14-3-6-20(32-23(26)27)21(9-14)31-12-13-1-2-13/h3-11,13,23H,1-2,12H2
InChIKeyDFAOHWKBCKGSRM-UHFFFAOYSA-N
MW476.31 g/mol
LogP6.76
Rot. Bonds7

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

7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(2,5-dichlorophenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 24774843) has the molecular formula C23H17Cl2F2N3O2 and a molecular weight of 476.31 g/mol. Its IUPAC name is 7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(2,5-dichlorophenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(2,5-dichlorophenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID24774843
Molecular FormulaC23H17Cl2F2N3O2
Molecular Weight476.31 g/mol
Exact Mass475.07
IUPAC Name7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(2,5-dichlorophenyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)Oc1ccc(-c2ccnc3cc(-c4cc(Cl)ccc4Cl)nn23)cc1OCC1CC1
InChIInChI=1S/C23H17Cl2F2N3O2/c24-15-4-5-17(25)16(10-15)18-11-22-28-8-7-19(30(22)29-18)14-3-6-20(32-23(26)27)21(9-14)31-12-13-1-2-13/h3-11,13,23H,1-2,12H2
InChIKeyDFAOHWKBCKGSRM-UHFFFAOYSA-N
XLogP6.76
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.31
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 3701632
5-(3,4-Dimethoxyphenyl)-2-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1241324
3-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 1851747
6-(3-Chlorophenyl)-3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16422008
7-(3''-Cyclopropylmethoxy-4''-difluoromethoxyphenyl)-2-(1-oxypyridin-3-yl)-pyrazolo[1,5-a]pyrimidine
CID 23624298
7-[3-(Cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 24774753
7-(3''-Cyclopropylmethoxy-4''-difluoromethoxyphenyl)-2-pyridin-3-yl-pyrazolo[1,5-a]pyrimidine
CID 24775191
3-[7-[3-(Cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]aniline
CID 24775752
7-[3-(Cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-phenylpyrazolo[1,5-a]pyrimidine
CID 24776131
3-(3,4-Dimethoxy-phenyl)-6-(3-fluorophenyl) imidazo[1,2-b]pyridazine
CID 126673196
7-(3-(Cyclopropylmethoxy)-4-methoxyphenyl)-2-(3-(trifluoromethyl)phenyl)pyrazolo[1,5-a]pyrimidine
CID 24774752
2-(3-Bromophenyl)-7-(3''-cyclopropylmethoxy-4''-difluoromethoxyphenyl)-pyrazolo[1,5-a]pyrimidine
CID 24774754

Frequently Asked Questions

What is the IUPAC name of 7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(2,5-dichlorophenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(2,5-dichlorophenyl)pyrazolo[1,5-a]pyrimidine (CID 24774843) is 7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(2,5-dichlorophenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(2,5-dichlorophenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(2,5-dichlorophenyl)pyrazolo[1,5-a]pyrimidine is FC(F)Oc1ccc(-c2ccnc3cc(-c4cc(Cl)ccc4Cl)nn23)cc1OCC1CC1.
What is the InChIKey of 7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(2,5-dichlorophenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is DFAOHWKBCKGSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2F2N3O2/c24-15-4-5-17(25)16(10-15)18-11-22-28-8-7-19(30(22)29-18)14-3-6-20(32-23(26)27)21(9-14)31-12-13-1-2-13/h3-11,13,23H,1-2,12H2.
What are the key properties of 7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(2,5-dichlorophenyl)pyrazolo[1,5-a]pyrimidine?
7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(2,5-dichlorophenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 476.31 g/mol, XLogP of 6.76, 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-(2,5-dichlorophenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 24774843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).