tert-butyl N-(1-methyl-4H-chromeno[3,4-d]pyrazol-6-yl)carbamate

C16H19N3O3 — CID 164944410

IUPACtert-butyl N-(1-methyl-4H-chromeno[3,4-d]pyrazol-6-yl)carbamate
SMILESCn1ncc2c1-c1cccc(NC(=O)OC(C)(C)C)c1OC2
InChIInChI=1S/C16H19N3O3/c1-16(2,3)22-15(20)18-12-7-5-6-11-13-10(8-17-19(13)4)9-21-14(11)12/h5-8H,9H2,1-4H3,(H,18,20)
InChIKeyMZUJJIWTURBKRM-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.33
Rot. Bonds1

About tert-butyl N-(1-methyl-4H-chromeno[3,4-d]pyrazol-6-yl)carbamate

tert-butyl N-(1-methyl-4H-chromeno[3,4-d]pyrazol-6-yl)carbamate (PubChem CID 164944410) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is tert-butyl N-(1-methyl-4H-chromeno[3,4-d]pyrazol-6-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-methyl-4H-chromeno[3,4-d]pyrazol-6-yl)carbamate
PubChem CID164944410
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Nametert-butyl N-(1-methyl-4H-chromeno[3,4-d]pyrazol-6-yl)carbamate
SMILESCn1ncc2c1-c1cccc(NC(=O)OC(C)(C)C)c1OC2
InChIInChI=1S/C16H19N3O3/c1-16(2,3)22-15(20)18-12-7-5-6-11-13-10(8-17-19(13)4)9-21-14(11)12/h5-8H,9H2,1-4H3,(H,18,20)
InChIKeyMZUJJIWTURBKRM-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-(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)carbamate
CID 164944406
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CID 164902583
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1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-5-carboxylic acid
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tert-butyl N-[2-(1-methylimidazol-2-yl)phenyl]carbamate
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tert-butyl N-[2-(2-methylphenyl)phenyl]carbamate
CID 22288328
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
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tert-butyl N-[5-(1-aminoethyl)-1-methylpyrazol-4-yl]carbamate
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tert-butyl N-(2-pyrazin-2-ylphenyl)carbamate
CID 22493234

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-methyl-4H-chromeno[3,4-d]pyrazol-6-yl)carbamate?
The IUPAC name of tert-butyl N-(1-methyl-4H-chromeno[3,4-d]pyrazol-6-yl)carbamate (CID 164944410) is tert-butyl N-(1-methyl-4H-chromeno[3,4-d]pyrazol-6-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-methyl-4H-chromeno[3,4-d]pyrazol-6-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-methyl-4H-chromeno[3,4-d]pyrazol-6-yl)carbamate is Cn1ncc2c1-c1cccc(NC(=O)OC(C)(C)C)c1OC2.
What is the InChIKey of tert-butyl N-(1-methyl-4H-chromeno[3,4-d]pyrazol-6-yl)carbamate?
The InChIKey is MZUJJIWTURBKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-16(2,3)22-15(20)18-12-7-5-6-11-13-10(8-17-19(13)4)9-21-14(11)12/h5-8H,9H2,1-4H3,(H,18,20).
What are the key properties of tert-butyl N-(1-methyl-4H-chromeno[3,4-d]pyrazol-6-yl)carbamate?
tert-butyl N-(1-methyl-4H-chromeno[3,4-d]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-(1-methyl-4H-chromeno[3,4-d]pyrazol-6-yl)carbamate is sourced from PubChem (CID 164944410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).