benzyl N-(1-methylindazol-5-yl)carbamate

C16H15N3O2 — CID 69411375

IUPACbenzyl N-(1-methylindazol-5-yl)carbamate
SMILESCn1ncc2cc(NC(=O)OCc3ccccc3)ccc21
InChIInChI=1S/C16H15N3O2/c1-19-15-8-7-14(9-13(15)10-17-19)18-16(20)21-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,18,20)
InChIKeyKEEAUROVJDMKNJ-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.32
Rot. Bonds3

About benzyl N-(1-methylindazol-5-yl)carbamate

benzyl N-(1-methylindazol-5-yl)carbamate (PubChem CID 69411375) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is benzyl N-(1-methylindazol-5-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(1-methylindazol-5-yl)carbamate
PubChem CID69411375
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Namebenzyl N-(1-methylindazol-5-yl)carbamate
SMILESCn1ncc2cc(NC(=O)OCc3ccccc3)ccc21
InChIInChI=1S/C16H15N3O2/c1-19-15-8-7-14(9-13(15)10-17-19)18-16(20)21-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,18,20)
InChIKeyKEEAUROVJDMKNJ-UHFFFAOYSA-N
XLogP3.32
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-(4-bromo-1-methylpyrazol-5-yl)carbamate
CID 71265851
[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1-methylindazol-5-yl)carbamate
CID 89459685
benzyl N-[3-(1-methylindazol-6-yl)prop-2-enyl]carbamate
CID 169471789
benzyl N-(3-formyl-4-methylphenyl)carbamate
CID 123875597
benzyl N-(4-amino-3-methoxyphenyl)carbamate
CID 154476991
benzyl N-(4-acetylphenyl)carbamate
CID 2994007
1-methyl-2-(phenylmethoxycarbonylamino)benzimidazole-5-carboxylic acid
CID 155083666
benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate
CID 102104858
benzyl N-(1-ethyl-6-oxo-3-pyridinyl)carbamate
CID 130157687
benzyl N-[4-(4,6-dichloropyrimidin-2-yl)phenyl]carbamate
CID 22618116
6-(phenylmethoxycarbonylamino)naphthalene-1-sulfonic acid
CID 154164204
benzyl N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)carbamate
CID 110639583

Frequently Asked Questions

What is the IUPAC name of benzyl N-(1-methylindazol-5-yl)carbamate?
The IUPAC name of benzyl N-(1-methylindazol-5-yl)carbamate (CID 69411375) is benzyl N-(1-methylindazol-5-yl)carbamate.
What is the SMILES notation for benzyl N-(1-methylindazol-5-yl)carbamate?
The canonical SMILES for benzyl N-(1-methylindazol-5-yl)carbamate is Cn1ncc2cc(NC(=O)OCc3ccccc3)ccc21.
What is the InChIKey of benzyl N-(1-methylindazol-5-yl)carbamate?
The InChIKey is KEEAUROVJDMKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-19-15-8-7-14(9-13(15)10-17-19)18-16(20)21-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,18,20).
What are the key properties of benzyl N-(1-methylindazol-5-yl)carbamate?
benzyl N-(1-methylindazol-5-yl)carbamate has a molecular weight of 281.31 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1-methylindazol-5-yl)carbamate is sourced from PubChem (CID 69411375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).