tert-butyl N-(2-methoxyethyl)-N-[2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)ethyl]carbamate

C17H25N5O4 — CID 75396671

IUPACtert-butyl N-(2-methoxyethyl)-N-[2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)ethyl]carbamate
SMILESCOCCN(CCNC(=O)c1cnn2cccnc12)C(=O)OC(C)(C)C
InChIInChI=1S/C17H25N5O4/c1-17(2,3)26-16(24)21(10-11-25-4)9-7-19-15(23)13-12-20-22-8-5-6-18-14(13)22/h5-6,8,12H,7,9-11H2,1-4H3,(H,19,23)
InChIKeyAXTVGAAJNGISTO-UHFFFAOYSA-N
MW363.42 g/mol
LogP1.34
Rot. Bonds7

About tert-butyl N-(2-methoxyethyl)-N-[2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)ethyl]carbamate

tert-butyl N-(2-methoxyethyl)-N-[2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)ethyl]carbamate (PubChem CID 75396671) has the molecular formula C17H25N5O4 and a molecular weight of 363.42 g/mol. Its IUPAC name is tert-butyl N-(2-methoxyethyl)-N-[2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-methoxyethyl)-N-[2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)ethyl]carbamate
PubChem CID75396671
Molecular FormulaC17H25N5O4
Molecular Weight363.42 g/mol
Exact Mass363.19
IUPAC Nametert-butyl N-(2-methoxyethyl)-N-[2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)ethyl]carbamate
SMILESCOCCN(CCNC(=O)c1cnn2cccnc12)C(=O)OC(C)(C)C
InChIInChI=1S/C17H25N5O4/c1-17(2,3)26-16(24)21(10-11-25-4)9-7-19-15(23)13-12-20-22-8-5-6-18-14(13)22/h5-6,8,12H,7,9-11H2,1-4H3,(H,19,23)
InChIKeyAXTVGAAJNGISTO-UHFFFAOYSA-N
XLogP1.34
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl (2S)-2-methyl-2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)butanoate
CID 94795811
4-methoxy-2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)butanoic acid
CID 120703114
tert-butyl N-(3-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-enyl)carbamate
CID 169467652
N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 95274740
N-[4-[3-[tert-butyl(dimethyl)silyl]oxypropylcarbamoyl]-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66664775
N-[[2-(phenoxymethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 39977011
1-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]cyclopropane-1-carboxylic acid
CID 146136440
N-[5-chloro-2-(2-methoxyethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66664795
tert-butyl N-(2-imidazol-1-ylethyl)-N-(2-methoxyethyl)carbamate
CID 156839844
N-(furan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1252016
ethane;1-pyrazolo[1,5-a]pyrimidin-3-ylethanone
CID 91104664
4-[methyl(pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]butanoic acid
CID 119135811

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-methoxyethyl)-N-[2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-(2-methoxyethyl)-N-[2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)ethyl]carbamate (CID 75396671) is tert-butyl N-(2-methoxyethyl)-N-[2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-(2-methoxyethyl)-N-[2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-(2-methoxyethyl)-N-[2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)ethyl]carbamate is COCCN(CCNC(=O)c1cnn2cccnc12)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-methoxyethyl)-N-[2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)ethyl]carbamate?
The InChIKey is AXTVGAAJNGISTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O4/c1-17(2,3)26-16(24)21(10-11-25-4)9-7-19-15(23)13-12-20-22-8-5-6-18-14(13)22/h5-6,8,12H,7,9-11H2,1-4H3,(H,19,23).
What are the key properties of tert-butyl N-(2-methoxyethyl)-N-[2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)ethyl]carbamate?
tert-butyl N-(2-methoxyethyl)-N-[2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)ethyl]carbamate has a molecular weight of 363.42 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-methoxyethyl)-N-[2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)ethyl]carbamate is sourced from PubChem (CID 75396671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).