benzyl N-(3-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-enyl)carbamate

C17H16N4O2 — CID 169471762

IUPACbenzyl N-(3-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-enyl)carbamate
SMILESO=C(NCC=Cc1cnn2cccnc12)OCc1ccccc1
InChIInChI=1S/C17H16N4O2/c22-17(23-13-14-6-2-1-3-7-14)19-9-4-8-15-12-20-21-11-5-10-18-16(15)21/h1-8,10-12H,9,13H2,(H,19,22)
InChIKeyIWCSQLKEHXZVNW-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.67
Rot. Bonds5

About benzyl N-(3-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-enyl)carbamate

benzyl N-(3-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-enyl)carbamate (PubChem CID 169471762) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is benzyl N-(3-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-enyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(3-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-enyl)carbamate
PubChem CID169471762
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Namebenzyl N-(3-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-enyl)carbamate
SMILESO=C(NCC=Cc1cnn2cccnc12)OCc1ccccc1
InChIInChI=1S/C17H16N4O2/c22-17(23-13-14-6-2-1-3-7-14)19-9-4-8-15-12-20-21-11-5-10-18-16(15)21/h1-8,10-12H,9,13H2,(H,19,22)
InChIKeyIWCSQLKEHXZVNW-UHFFFAOYSA-N
XLogP2.67
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(3-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-enyl)carbamate
CID 169467652
benzyl N-[3-(2-chloro-3-pyridinyl)prop-2-enyl]carbamate
CID 169471062
benzyl N-(4-pyrazolo[1,5-a]pyrimidin-3-ylbut-3-ynyl)carbamate
CID 170462694
benzyl N-[3-(3-amino-2-pyridinyl)prop-2-enyl]carbamate
CID 169471041
benzyl N-[3-(2,4-dichloropyrimidin-5-yl)prop-2-enyl]carbamate
CID 169471267
benzyl N-[3-(3-chloro-4-pyridinyl)prop-2-enyl]carbamate
CID 169471067
benzyl N-[3-(2-amino-5-methyl-3-pyridinyl)prop-2-enyl]carbamate
CID 169471246
2-[5-[3-(phenylmethoxycarbonylamino)prop-1-enyl]-2-pyridinyl]acetic acid
CID 169472043
benzyl N-[3-(2-ethylphenyl)prop-2-enyl]carbamate
CID 169471140
benzyl N-(3-naphthalen-1-ylprop-2-enyl)carbamate
CID 169471773
benzyl N-[3-[2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169471204
benzyl N-(3-pyrimidin-5-ylprop-2-enyl)carbamate
CID 169470986

Frequently Asked Questions

What is the IUPAC name of benzyl N-(3-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-enyl)carbamate?
The IUPAC name of benzyl N-(3-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-enyl)carbamate (CID 169471762) is benzyl N-(3-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-enyl)carbamate.
What is the SMILES notation for benzyl N-(3-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-enyl)carbamate?
The canonical SMILES for benzyl N-(3-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-enyl)carbamate is O=C(NCC=Cc1cnn2cccnc12)OCc1ccccc1.
What is the InChIKey of benzyl N-(3-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-enyl)carbamate?
The InChIKey is IWCSQLKEHXZVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c22-17(23-13-14-6-2-1-3-7-14)19-9-4-8-15-12-20-21-11-5-10-18-16(15)21/h1-8,10-12H,9,13H2,(H,19,22).
What are the key properties of benzyl N-(3-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-enyl)carbamate?
benzyl N-(3-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-enyl)carbamate has a molecular weight of 308.34 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(3-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-enyl)carbamate is sourced from PubChem (CID 169471762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).