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

C23H18BrF2N3O2 — CID 24774754

IUPAC2-(3-bromophenyl)-7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine
SMILESFC(F)Oc1ccc(-c2ccnc3cc(-c4cccc(Br)c4)nn23)cc1OCC1CC1
InChIInChI=1S/C23H18BrF2N3O2/c24-17-3-1-2-15(10-17)18-12-22-27-9-8-19(29(22)28-18)16-6-7-20(31-23(25)26)21(11-16)30-13-14-4-5-14/h1-3,6-12,14,23H,4-5,13H2
InChIKeyNBYSTOLOCMQNMK-UHFFFAOYSA-N
MW486.32 g/mol
LogP6.22
Rot. Bonds7

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

2-(3-bromophenyl)-7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 24774754) has the molecular formula C23H18BrF2N3O2 and a molecular weight of 486.32 g/mol. Its IUPAC name is 2-(3-bromophenyl)-7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(3-bromophenyl)-7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine
PubChem CID24774754
Molecular FormulaC23H18BrF2N3O2
Molecular Weight486.32 g/mol
Exact Mass485.06
IUPAC Name2-(3-bromophenyl)-7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine
SMILESFC(F)Oc1ccc(-c2ccnc3cc(-c4cccc(Br)c4)nn23)cc1OCC1CC1
InChIInChI=1S/C23H18BrF2N3O2/c24-17-3-1-2-15(10-17)18-12-22-27-9-8-19(29(22)28-18)16-6-7-20(31-23(25)26)21(11-16)30-13-14-4-5-14/h1-3,6-12,14,23H,4-5,13H2
InChIKeyNBYSTOLOCMQNMK-UHFFFAOYSA-N
XLogP6.22
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.32
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Tubulin inhibitor 24
CID 155804415
3-Fluoropropyl 4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl ether
CID 3692931
3-Bromo-7-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 4775099
5-(3,4-Dimethoxyphenyl)-2-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1241324
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
3-[7-(3''-Cyclopropylmethoxy-4''-difluoromethoxyphenyl)-pyrazolo[1,5-a]pyrimidin-2-yl]-benzoic acid
CID 24774929
Propan-2-yl 3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]benzoate
CID 24774930
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
Methyl 3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]benzoate
CID 46232194

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(3-bromophenyl)-7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine (CID 24774754) is 2-(3-bromophenyl)-7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(3-bromophenyl)-7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(3-bromophenyl)-7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine is FC(F)Oc1ccc(-c2ccnc3cc(-c4cccc(Br)c4)nn23)cc1OCC1CC1.
What is the InChIKey of 2-(3-bromophenyl)-7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is NBYSTOLOCMQNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrF2N3O2/c24-17-3-1-2-15(10-17)18-12-22-27-9-8-19(29(22)28-18)16-6-7-20(31-23(25)26)21(11-16)30-13-14-4-5-14/h1-3,6-12,14,23H,4-5,13H2.
What are the key properties of 2-(3-bromophenyl)-7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine?
2-(3-bromophenyl)-7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 486.32 g/mol, XLogP of 6.22, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 24774754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).