tert-butyl N-(3-ethenyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-N-propylcarbamate

C17H24N4O2 — CID 126491491

IUPACtert-butyl N-(3-ethenyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-N-propylcarbamate
SMILESC=Cc1cnn2c(N(CCC)C(=O)OC(C)(C)C)cc(C)nc12
InChIInChI=1S/C17H24N4O2/c1-7-9-20(16(22)23-17(4,5)6)14-10-12(3)19-15-13(8-2)11-18-21(14)15/h8,10-11H,2,7,9H2,1,3-6H3
InChIKeyKRSQSZZQWWQANN-UHFFFAOYSA-N
MW316.41 g/mol
LogP3.83
Rot. Bonds4

About tert-butyl N-(3-ethenyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-N-propylcarbamate

tert-butyl N-(3-ethenyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-N-propylcarbamate (PubChem CID 126491491) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is tert-butyl N-(3-ethenyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-N-propylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(3-ethenyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-N-propylcarbamate
PubChem CID126491491
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Nametert-butyl N-(3-ethenyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-N-propylcarbamate
SMILESC=Cc1cnn2c(N(CCC)C(=O)OC(C)(C)C)cc(C)nc12
InChIInChI=1S/C17H24N4O2/c1-7-9-20(16(22)23-17(4,5)6)14-10-12(3)19-15-13(8-2)11-18-21(14)15/h8,10-11H,2,7,9H2,1,3-6H3
InChIKeyKRSQSZZQWWQANN-UHFFFAOYSA-N
XLogP3.83
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(pyridin-3-ylmethyl)carbamate
CID 21068477
tert-butyl N-[3-formyl-5-(5-methylthiophen-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 123592340
tert-butyl N-[5-chloro-3-[(E)-(2,5-dioxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(cyclopropylmethyl)carbamate
CID 58196515
tert-butyl N-(3-bromo-5-phenoxypyrazolo[1,5-a]pyrimidin-7-yl)-N-(2-methoxyethyl)carbamate
CID 118458700
tert-butyl N-(3-bromo-5-pyridin-3-yloxypyrazolo[1,5-a]pyrimidin-7-yl)-N-(2-hydroxyethyl)carbamate
CID 90176084
tert-butyl 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 79496302
[5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]boronic acid
CID 176913758
tert-butyl N-[5-chloro-3-(2-methoxyacetyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 176913724
4-[7-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid
CID 87325540
tert-butyl N-[3-bromo-5-(2-hydroxypentan-3-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]-N-(cyclohexylmethyl)carbamate
CID 137396476
tert-butyl N-(4-fluoro-5-formylpyrimidin-2-yl)-N-[(2-methyl-4-pyridinyl)methyl]carbamate
CID 58259470
[1-[(3-bromo-5-phenoxypyrazolo[1,5-a]pyrimidin-7-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methylpropan-2-yl] tert-butyl carbonate
CID 118452832

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-ethenyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-N-propylcarbamate?
The IUPAC name of tert-butyl N-(3-ethenyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-N-propylcarbamate (CID 126491491) is tert-butyl N-(3-ethenyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-N-propylcarbamate.
What is the SMILES notation for tert-butyl N-(3-ethenyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-N-propylcarbamate?
The canonical SMILES for tert-butyl N-(3-ethenyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-N-propylcarbamate is C=Cc1cnn2c(N(CCC)C(=O)OC(C)(C)C)cc(C)nc12.
What is the InChIKey of tert-butyl N-(3-ethenyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-N-propylcarbamate?
The InChIKey is KRSQSZZQWWQANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-7-9-20(16(22)23-17(4,5)6)14-10-12(3)19-15-13(8-2)11-18-21(14)15/h8,10-11H,2,7,9H2,1,3-6H3.
What are the key properties of tert-butyl N-(3-ethenyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-N-propylcarbamate?
tert-butyl N-(3-ethenyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-N-propylcarbamate has a molecular weight of 316.41 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-ethenyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-N-propylcarbamate is sourced from PubChem (CID 126491491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).