tert-butyl N-(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)carbamate

C16H19N3O3 — CID 164944406

IUPACtert-butyl N-(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)carbamate
SMILESCn1cc2c(n1)-c1cccc(NC(=O)OC(C)(C)C)c1OC2
InChIInChI=1S/C16H19N3O3/c1-16(2,3)22-15(20)17-12-7-5-6-11-13-10(8-19(4)18-13)9-21-14(11)12/h5-8H,9H2,1-4H3,(H,17,20)
InChIKeyABUYTHRAJHGLER-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.33
Rot. Bonds1

About tert-butyl N-(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)carbamate

tert-butyl N-(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)carbamate (PubChem CID 164944406) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is tert-butyl N-(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)carbamate
PubChem CID164944406
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Nametert-butyl N-(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)carbamate
SMILESCn1cc2c(n1)-c1cccc(NC(=O)OC(C)(C)C)c1OC2
InChIInChI=1S/C16H19N3O3/c1-16(2,3)22-15(20)17-12-7-5-6-11-13-10(8-19(4)18-13)9-21-14(11)12/h5-8H,9H2,1-4H3,(H,17,20)
InChIKeyABUYTHRAJHGLER-UHFFFAOYSA-N
XLogP3.33
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)carbamate?
The IUPAC name of tert-butyl N-(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)carbamate (CID 164944406) is tert-butyl N-(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)carbamate is Cn1cc2c(n1)-c1cccc(NC(=O)OC(C)(C)C)c1OC2.
What is the InChIKey of tert-butyl N-(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)carbamate?
The InChIKey is ABUYTHRAJHGLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-16(2,3)22-15(20)17-12-7-5-6-11-13-10(8-19(4)18-13)9-21-14(11)12/h5-8H,9H2,1-4H3,(H,17,20).
What are the key properties of tert-butyl N-(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)carbamate?
tert-butyl N-(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)carbamate has a molecular weight of 301.35 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)carbamate is sourced from PubChem (CID 164944406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).