6-(1-ethylpyrazol-4-yl)-3-[4-(1-ethyltriazol-4-yl)-3,5-dimethoxyphenyl]pyrazolo[1,5-a]pyrimidine

C23H24N8O2 — CID 171034519

IUPAC6-(1-ethylpyrazol-4-yl)-3-[4-(1-ethyltriazol-4-yl)-3,5-dimethoxyphenyl]pyrazolo[1,5-a]pyrimidine
SMILESCCn1cc(-c2cnc3c(-c4cc(OC)c(-c5cn(CC)nn5)c(OC)c4)cnn3c2)cn1
InChIInChI=1S/C23H24N8O2/c1-5-29-12-17(10-25-29)16-9-24-23-18(11-26-31(23)13-16)15-7-20(32-3)22(21(8-15)33-4)19-14-30(6-2)28-27-19/h7-14H,5-6H2,1-4H3
InChIKeyCXYGBPNGSNQBQL-UHFFFAOYSA-N
MW444.50 g/mol
LogP3.58
Rot. Bonds7

About 6-(1-ethylpyrazol-4-yl)-3-[4-(1-ethyltriazol-4-yl)-3,5-dimethoxyphenyl]pyrazolo[1,5-a]pyrimidine

6-(1-ethylpyrazol-4-yl)-3-[4-(1-ethyltriazol-4-yl)-3,5-dimethoxyphenyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 171034519) has the molecular formula C23H24N8O2 and a molecular weight of 444.50 g/mol. Its IUPAC name is 6-(1-ethylpyrazol-4-yl)-3-[4-(1-ethyltriazol-4-yl)-3,5-dimethoxyphenyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-(1-ethylpyrazol-4-yl)-3-[4-(1-ethyltriazol-4-yl)-3,5-dimethoxyphenyl]pyrazolo[1,5-a]pyrimidine
PubChem CID171034519
Molecular FormulaC23H24N8O2
Molecular Weight444.50 g/mol
Exact Mass444.20
IUPAC Name6-(1-ethylpyrazol-4-yl)-3-[4-(1-ethyltriazol-4-yl)-3,5-dimethoxyphenyl]pyrazolo[1,5-a]pyrimidine
SMILESCCn1cc(-c2cnc3c(-c4cc(OC)c(-c5cn(CC)nn5)c(OC)c4)cnn3c2)cn1
InChIInChI=1S/C23H24N8O2/c1-5-29-12-17(10-25-29)16-9-24-23-18(11-26-31(23)13-16)15-7-20(32-3)22(21(8-15)33-4)19-14-30(6-2)28-27-19/h7-14H,5-6H2,1-4H3
InChIKeyCXYGBPNGSNQBQL-UHFFFAOYSA-N
XLogP3.58
TPSA97.18 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-(1-ethylpyrazol-4-yl)-3-[4-(1-ethyltriazol-4-yl)-3,5-dimethoxyphenyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-(1-ethylpyrazol-4-yl)-3-[4-(1-ethyltriazol-4-yl)-3,5-dimethoxyphenyl]pyrazolo[1,5-a]pyrimidine (CID 171034519) is 6-(1-ethylpyrazol-4-yl)-3-[4-(1-ethyltriazol-4-yl)-3,5-dimethoxyphenyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-(1-ethylpyrazol-4-yl)-3-[4-(1-ethyltriazol-4-yl)-3,5-dimethoxyphenyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-(1-ethylpyrazol-4-yl)-3-[4-(1-ethyltriazol-4-yl)-3,5-dimethoxyphenyl]pyrazolo[1,5-a]pyrimidine is CCn1cc(-c2cnc3c(-c4cc(OC)c(-c5cn(CC)nn5)c(OC)c4)cnn3c2)cn1.
What is the InChIKey of 6-(1-ethylpyrazol-4-yl)-3-[4-(1-ethyltriazol-4-yl)-3,5-dimethoxyphenyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is CXYGBPNGSNQBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O2/c1-5-29-12-17(10-25-29)16-9-24-23-18(11-26-31(23)13-16)15-7-20(32-3)22(21(8-15)33-4)19-14-30(6-2)28-27-19/h7-14H,5-6H2,1-4H3.
What are the key properties of 6-(1-ethylpyrazol-4-yl)-3-[4-(1-ethyltriazol-4-yl)-3,5-dimethoxyphenyl]pyrazolo[1,5-a]pyrimidine?
6-(1-ethylpyrazol-4-yl)-3-[4-(1-ethyltriazol-4-yl)-3,5-dimethoxyphenyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 444.50 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethylpyrazol-4-yl)-3-[4-(1-ethyltriazol-4-yl)-3,5-dimethoxyphenyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 171034519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).