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

C20H21N3O3 — CID 5307788

IUPAC2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide
SMILESCC(CCc1ccco1)NC(=O)Cn1ncc2c1-c1ccccc1OC2
InChIInChI=1S/C20H21N3O3/c1-14(8-9-16-5-4-10-25-16)22-19(24)12-23-20-15(11-21-23)13-26-18-7-3-2-6-17(18)20/h2-7,10-11,14H,8-9,12-13H2,1H3,(H,22,24)
InChIKeyPJZGZFOFOWSCMY-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.17
Rot. Bonds6

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

2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide (PubChem CID 5307788) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide
PubChem CID5307788
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide
SMILESCC(CCc1ccco1)NC(=O)Cn1ncc2c1-c1ccccc1OC2
InChIInChI=1S/C20H21N3O3/c1-14(8-9-16-5-4-10-25-16)22-19(24)12-23-20-15(11-21-23)13-26-18-7-3-2-6-17(18)20/h2-7,10-11,14H,8-9,12-13H2,1H3,(H,22,24)
InChIKeyPJZGZFOFOWSCMY-UHFFFAOYSA-N
XLogP3.17
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide?
The IUPAC name of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide (CID 5307788) is 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide.
What is the SMILES notation for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide?
The canonical SMILES for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide is CC(CCc1ccco1)NC(=O)Cn1ncc2c1-c1ccccc1OC2.
What is the InChIKey of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide?
The InChIKey is PJZGZFOFOWSCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14(8-9-16-5-4-10-25-16)22-19(24)12-23-20-15(11-21-23)13-26-18-7-3-2-6-17(18)20/h2-7,10-11,14H,8-9,12-13H2,1H3,(H,22,24).
What are the key properties of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide?
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide has a molecular weight of 351.41 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide is sourced from PubChem (CID 5307788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).