N-[4-(furan-2-yl)butan-2-yl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide

C21H23N3O3 — CID 5309316

IUPACN-[4-(furan-2-yl)butan-2-yl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
SMILESCc1ccc2c(c1)-c1c(cnn1CC(=O)NC(C)CCc1ccco1)CO2
InChIInChI=1S/C21H23N3O3/c1-14-5-8-19-18(10-14)21-16(13-27-19)11-22-24(21)12-20(25)23-15(2)6-7-17-4-3-9-26-17/h3-5,8-11,15H,6-7,12-13H2,1-2H3,(H,23,25)
InChIKeyYSEQYHLUZCKCHI-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.48
Rot. Bonds6

About N-[4-(furan-2-yl)butan-2-yl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide

N-[4-(furan-2-yl)butan-2-yl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide (PubChem CID 5309316) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[4-(furan-2-yl)butan-2-yl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)butan-2-yl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
PubChem CID5309316
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[4-(furan-2-yl)butan-2-yl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
SMILESCc1ccc2c(c1)-c1c(cnn1CC(=O)NC(C)CCc1ccco1)CO2
InChIInChI=1S/C21H23N3O3/c1-14-5-8-19-18(10-14)21-16(13-27-19)11-22-24(21)12-20(25)23-15(2)6-7-17-4-3-9-26-17/h3-5,8-11,15H,6-7,12-13H2,1-2H3,(H,23,25)
InChIKeyYSEQYHLUZCKCHI-UHFFFAOYSA-N
XLogP3.48
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide?
The IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide (CID 5309316) is N-[4-(furan-2-yl)butan-2-yl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide.
What is the SMILES notation for N-[4-(furan-2-yl)butan-2-yl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide?
The canonical SMILES for N-[4-(furan-2-yl)butan-2-yl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide is Cc1ccc2c(c1)-c1c(cnn1CC(=O)NC(C)CCc1ccco1)CO2.
What is the InChIKey of N-[4-(furan-2-yl)butan-2-yl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide?
The InChIKey is YSEQYHLUZCKCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14-5-8-19-18(10-14)21-16(13-27-19)11-22-24(21)12-20(25)23-15(2)6-7-17-4-3-9-26-17/h3-5,8-11,15H,6-7,12-13H2,1-2H3,(H,23,25).
What are the key properties of N-[4-(furan-2-yl)butan-2-yl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide?
N-[4-(furan-2-yl)butan-2-yl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide has a molecular weight of 365.43 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)butan-2-yl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide is sourced from PubChem (CID 5309316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).