methyl 4-[7-(dimethylamino)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate

C18H26N4O2 — CID 91105058

IUPACmethyl 4-[7-(dimethylamino)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate
SMILESCCc1cnn2c(N(C)C)cc(C3CCC(C(=O)OC)CC3)nc12
InChIInChI=1S/C18H26N4O2/c1-5-12-11-19-22-16(21(2)3)10-15(20-17(12)22)13-6-8-14(9-7-13)18(23)24-4/h10-11,13-14H,5-9H2,1-4H3
InChIKeySTEGJGBXECWURW-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.80
Rot. Bonds4

About methyl 4-[7-(dimethylamino)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate

methyl 4-[7-(dimethylamino)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate (PubChem CID 91105058) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is methyl 4-[7-(dimethylamino)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[7-(dimethylamino)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate
PubChem CID91105058
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Namemethyl 4-[7-(dimethylamino)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate
SMILESCCc1cnn2c(N(C)C)cc(C3CCC(C(=O)OC)CC3)nc12
InChIInChI=1S/C18H26N4O2/c1-5-12-11-19-22-16(21(2)3)10-15(20-17(12)22)13-6-8-14(9-7-13)18(23)24-4/h10-11,13-14H,5-9H2,1-4H3
InChIKeySTEGJGBXECWURW-UHFFFAOYSA-N
XLogP2.80
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[7-(dimethylamino)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[7-(dimethylamino)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate (CID 91105058) is methyl 4-[7-(dimethylamino)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[7-(dimethylamino)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[7-(dimethylamino)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate is CCc1cnn2c(N(C)C)cc(C3CCC(C(=O)OC)CC3)nc12.
What is the InChIKey of methyl 4-[7-(dimethylamino)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate?
The InChIKey is STEGJGBXECWURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-5-12-11-19-22-16(21(2)3)10-15(20-17(12)22)13-6-8-14(9-7-13)18(23)24-4/h10-11,13-14H,5-9H2,1-4H3.
What are the key properties of methyl 4-[7-(dimethylamino)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate?
methyl 4-[7-(dimethylamino)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate has a molecular weight of 330.43 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[7-(dimethylamino)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate is sourced from PubChem (CID 91105058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).