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

C23H25N3O3 — CID 5307406

IUPAC2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-cyclohexyl-N-(furan-2-ylmethyl)acetamide
SMILESO=C(Cn1ncc2c1-c1ccccc1OC2)N(Cc1ccco1)C1CCCCC1
InChIInChI=1S/C23H25N3O3/c27-22(25(14-19-9-6-12-28-19)18-7-2-1-3-8-18)15-26-23-17(13-24-26)16-29-21-11-5-4-10-20(21)23/h4-6,9-13,18H,1-3,7-8,14-16H2
InChIKeyYDHSXZKRPNZZCS-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.40
Rot. Bonds5

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

2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-cyclohexyl-N-(furan-2-ylmethyl)acetamide (PubChem CID 5307406) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-cyclohexyl-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-cyclohexyl-N-(furan-2-ylmethyl)acetamide
PubChem CID5307406
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-cyclohexyl-N-(furan-2-ylmethyl)acetamide
SMILESO=C(Cn1ncc2c1-c1ccccc1OC2)N(Cc1ccco1)C1CCCCC1
InChIInChI=1S/C23H25N3O3/c27-22(25(14-19-9-6-12-28-19)18-7-2-1-3-8-18)15-26-23-17(13-24-26)16-29-21-11-5-4-10-20(21)23/h4-6,9-13,18H,1-3,7-8,14-16H2
InChIKeyYDHSXZKRPNZZCS-UHFFFAOYSA-N
XLogP4.40
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.40
H-Bond Donors ≤ 50
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-cyclohexyl-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-cyclohexyl-N-(furan-2-ylmethyl)acetamide (CID 5307406) is 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-cyclohexyl-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-cyclohexyl-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-cyclohexyl-N-(furan-2-ylmethyl)acetamide is O=C(Cn1ncc2c1-c1ccccc1OC2)N(Cc1ccco1)C1CCCCC1.
What is the InChIKey of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-cyclohexyl-N-(furan-2-ylmethyl)acetamide?
The InChIKey is YDHSXZKRPNZZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c27-22(25(14-19-9-6-12-28-19)18-7-2-1-3-8-18)15-26-23-17(13-24-26)16-29-21-11-5-4-10-20(21)23/h4-6,9-13,18H,1-3,7-8,14-16H2.
What are the key properties of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-cyclohexyl-N-(furan-2-ylmethyl)acetamide?
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-cyclohexyl-N-(furan-2-ylmethyl)acetamide has a molecular weight of 391.47 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 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-cyclohexyl-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 5307406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).