ethyl 5-(1-ethylindazol-5-yl)-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate

C19H19N5O3 — CID 90111302

IUPACethyl 5-(1-ethylindazol-5-yl)-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]n2c(=O)cc(-c3ccc4c(cnn4CC)c3)nc12
InChIInChI=1S/C19H19N5O3/c1-4-23-15-7-6-12(8-13(15)10-20-23)14-9-16(25)24-18(21-14)17(11(3)22-24)19(26)27-5-2/h6-10,22H,4-5H2,1-3H3
InChIKeyNHFVDPLVCPGEDM-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.54
Rot. Bonds4

About ethyl 5-(1-ethylindazol-5-yl)-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 5-(1-ethylindazol-5-yl)-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 90111302) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is ethyl 5-(1-ethylindazol-5-yl)-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(1-ethylindazol-5-yl)-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID90111302
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Nameethyl 5-(1-ethylindazol-5-yl)-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]n2c(=O)cc(-c3ccc4c(cnn4CC)c3)nc12
InChIInChI=1S/C19H19N5O3/c1-4-23-15-7-6-12(8-13(15)10-20-23)14-9-16(25)24-18(21-14)17(11(3)22-24)19(26)27-5-2/h6-10,22H,4-5H2,1-3H3
InChIKeyNHFVDPLVCPGEDM-UHFFFAOYSA-N
XLogP2.54
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 5-(1-ethylindazol-5-yl)-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate with MolForge

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Related Compounds

ethyl 5-(1-ethylindazol-5-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 90111692
ethyl 2-methyl-5-(3-nitrophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 67095557
3-[1-(aminodiazenyl)ethenyl]-5-(1-ethylindazol-5-yl)-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 90126913
ethyl 7-oxo-5-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 66974750
5-(1-ethylindazol-5-yl)-3-(5-phenyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 90112043
ethyl 5-(2-nitrophenyl)-7-oxo-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 66974735
2-(5-ethoxycarbonylindazol-1-yl)acetic acid
CID 18388152
ethyl 2-methyl-5-[[(3R)-3-methylmorpholin-4-yl]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 95144945
CID 174031818
CID 174031818
ethyl 1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 14590536
5-(1-acetylindazol-5-yl)-2-(2-oxopropyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 158508865
ethyl 5-(4-chloro-3-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 90110858

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(1-ethylindazol-5-yl)-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 5-(1-ethylindazol-5-yl)-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 90111302) is ethyl 5-(1-ethylindazol-5-yl)-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 5-(1-ethylindazol-5-yl)-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 5-(1-ethylindazol-5-yl)-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1c(C)[nH]n2c(=O)cc(-c3ccc4c(cnn4CC)c3)nc12.
What is the InChIKey of ethyl 5-(1-ethylindazol-5-yl)-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is NHFVDPLVCPGEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-4-23-15-7-6-12(8-13(15)10-20-23)14-9-16(25)24-18(21-14)17(11(3)22-24)19(26)27-5-2/h6-10,22H,4-5H2,1-3H3.
What are the key properties of ethyl 5-(1-ethylindazol-5-yl)-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 5-(1-ethylindazol-5-yl)-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 365.39 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(1-ethylindazol-5-yl)-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 90111302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).