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

C24H18F5N3O2 — CID 24774752

IUPAC7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
SMILESFC(F)Oc1ccc(-c2ccnc3cc(-c4cccc(C(F)(F)F)c4)nn23)cc1OCC1CC1
InChIInChI=1S/C24H18F5N3O2/c25-23(26)34-20-7-6-16(11-21(20)33-13-14-4-5-14)19-8-9-30-22-12-18(31-32(19)22)15-2-1-3-17(10-15)24(27,28)29/h1-3,6-12,14,23H,4-5,13H2
InChIKeyYHCUXIDALOCTLZ-UHFFFAOYSA-N
MW475.42 g/mol
LogP6.47
Rot. Bonds7

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

7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 24774752) has the molecular formula C24H18F5N3O2 and a molecular weight of 475.42 g/mol. Its IUPAC name is 7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
PubChem CID24774752
Molecular FormulaC24H18F5N3O2
Molecular Weight475.42 g/mol
Exact Mass475.13
IUPAC Name7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
SMILESFC(F)Oc1ccc(-c2ccnc3cc(-c4cccc(C(F)(F)F)c4)nn23)cc1OCC1CC1
InChIInChI=1S/C24H18F5N3O2/c25-23(26)34-20-7-6-16(11-21(20)33-13-14-4-5-14)19-8-9-30-22-12-18(31-32(19)22)15-2-1-3-17(10-15)24(27,28)29/h1-3,6-12,14,23H,4-5,13H2
InChIKeyYHCUXIDALOCTLZ-UHFFFAOYSA-N
XLogP6.47
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.42
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905153
ML303
CID 136141525
3,6-Bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine
CID 134179384
(2S)-1-[2-(difluoromethyl)-4-pyrazolo[1,5-a]pyrimidin-7-ylphenoxy]-2,4-dimethylpentan-2-amine
CID 135284803
7-Amino-3-(3,4-dimethoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 2988155
1-isopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905343
4-(2-{4-[2-(Dimethylamino)ethoxy]phenyl}-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 16103245
4-(3-{4-[2-(Dimethylamino)ethoxy]phenyl}-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl)phenol
CID 135547715
2-(1-Methylindol-5-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 155804414
Tubulin inhibitor 24
CID 155804415
3-Fluoropropyl 4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl ether
CID 3692931
5-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 3701632

Frequently Asked Questions

What is the IUPAC name of 7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine (CID 24774752) is 7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine is FC(F)Oc1ccc(-c2ccnc3cc(-c4cccc(C(F)(F)F)c4)nn23)cc1OCC1CC1.
What is the InChIKey of 7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is YHCUXIDALOCTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F5N3O2/c25-23(26)34-20-7-6-16(11-21(20)33-13-14-4-5-14)19-8-9-30-22-12-18(31-32(19)22)15-2-1-3-17(10-15)24(27,28)29/h1-3,6-12,14,23H,4-5,13H2.
What are the key properties of 7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine?
7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 475.42 g/mol, XLogP of 6.47, 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-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 24774752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).