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

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Related Compounds

tert-butyl N-(1-methyl-4H-chromeno[3,4-d]pyrazol-6-yl)carbamate
CID 164944410
tert-butyl N-(2,4-dihydro-1H-tetrazolo[5,1-c][1,4]benzoxazin-6-yl)carbamate;molecular hydrogen
CID 164902583
ethyl 2-chloro-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]pyrimidine-5-carboxylate
CID 171626464
tert-butyl N-(2,2-dimethyl-3H-1-benzofuran-7-yl)carbamate
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tert-butyl N-[3-(4-bromo-1-ethylpyrazol-3-yl)-2-fluorophenyl]carbamate
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tert-butyl N-[2-(1-methylimidazol-2-yl)phenyl]carbamate
CID 67263638
tert-butyl N-[2-(2-methylphenyl)phenyl]carbamate
CID 22288328
tert-butyl N-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]carbamate
CID 171803882
tert-butyl N-([1,3]dioxolo[4,5-b]pyridin-7-yl)carbamate
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tert-butyl N-[2-(3-amino-1,2-oxazol-5-yl)phenyl]carbamate
CID 115111721
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
tert-butyl N-[2-(9-benzylpurin-6-yl)phenyl]carbamate
CID 134847294

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).