benzyl N-[3-(6-methyl-1H-indazol-5-yl)prop-2-enyl]carbamate

C19H19N3O2 — CID 169471792

IUPACbenzyl N-[3-(6-methyl-1H-indazol-5-yl)prop-2-enyl]carbamate
SMILESCc1cc2[nH]ncc2cc1C=CCNC(=O)OCc1ccccc1
InChIInChI=1S/C19H19N3O2/c1-14-10-18-17(12-21-22-18)11-16(14)8-5-9-20-19(23)24-13-15-6-3-2-4-7-15/h2-8,10-12H,9,13H2,1H3,(H,20,23)(H,21,22)
InChIKeyQUQWUHHPAPVEQK-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.81
Rot. Bonds5

About benzyl N-[3-(6-methyl-1H-indazol-5-yl)prop-2-enyl]carbamate

benzyl N-[3-(6-methyl-1H-indazol-5-yl)prop-2-enyl]carbamate (PubChem CID 169471792) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is benzyl N-[3-(6-methyl-1H-indazol-5-yl)prop-2-enyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(6-methyl-1H-indazol-5-yl)prop-2-enyl]carbamate
PubChem CID169471792
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Namebenzyl N-[3-(6-methyl-1H-indazol-5-yl)prop-2-enyl]carbamate
SMILESCc1cc2[nH]ncc2cc1C=CCNC(=O)OCc1ccccc1
InChIInChI=1S/C19H19N3O2/c1-14-10-18-17(12-21-22-18)11-16(14)8-5-9-20-19(23)24-13-15-6-3-2-4-7-15/h2-8,10-12H,9,13H2,1H3,(H,20,23)(H,21,22)
InChIKeyQUQWUHHPAPVEQK-UHFFFAOYSA-N
XLogP3.81
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[3-(4-amino-2,5-dimethylphenyl)prop-2-enyl]carbamate
CID 169471640
benzyl N-[3-(5-amino-2-methylphenyl)prop-2-enyl]carbamate
CID 169471314
benzyl N-[3-(2-amino-5-methyl-3-pyridinyl)prop-2-enyl]carbamate
CID 169471246
benzyl N-[3-(2,4-dichloropyrimidin-5-yl)prop-2-enyl]carbamate
CID 169471267
benzyl N-(3-naphthalen-1-ylprop-2-enyl)carbamate
CID 169471773
benzyl N-[3-(2-ethylphenyl)prop-2-enyl]carbamate
CID 169471140
benzyl N-[3-(5-methyl-2-pyridinyl)prop-2-enyl]carbamate
CID 169471077
benzyl N-[3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enyl]carbamate
CID 169472972
benzyl N-[3-(2,5-dihydroxyphenyl)prop-2-enyl]carbamate
CID 169472876
benzyl N-[3-(2-methoxyphenyl)prop-2-enyl]carbamate
CID 169471209
benzyl N-[3-(4-methoxy-2,6-dimethylphenyl)prop-2-enyl]carbamate
CID 169471931
benzyl N-[3-(3-methyl-2-nitrophenyl)prop-2-enyl]carbamate
CID 169472063

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(6-methyl-1H-indazol-5-yl)prop-2-enyl]carbamate?
The IUPAC name of benzyl N-[3-(6-methyl-1H-indazol-5-yl)prop-2-enyl]carbamate (CID 169471792) is benzyl N-[3-(6-methyl-1H-indazol-5-yl)prop-2-enyl]carbamate.
What is the SMILES notation for benzyl N-[3-(6-methyl-1H-indazol-5-yl)prop-2-enyl]carbamate?
The canonical SMILES for benzyl N-[3-(6-methyl-1H-indazol-5-yl)prop-2-enyl]carbamate is Cc1cc2[nH]ncc2cc1C=CCNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-(6-methyl-1H-indazol-5-yl)prop-2-enyl]carbamate?
The InChIKey is QUQWUHHPAPVEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-14-10-18-17(12-21-22-18)11-16(14)8-5-9-20-19(23)24-13-15-6-3-2-4-7-15/h2-8,10-12H,9,13H2,1H3,(H,20,23)(H,21,22).
What are the key properties of benzyl N-[3-(6-methyl-1H-indazol-5-yl)prop-2-enyl]carbamate?
benzyl N-[3-(6-methyl-1H-indazol-5-yl)prop-2-enyl]carbamate has a molecular weight of 321.38 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(6-methyl-1H-indazol-5-yl)prop-2-enyl]carbamate is sourced from PubChem (CID 169471792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).