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

C19H23N3O2 — CID 20880033

IUPAC2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-cycloheptylacetamide
SMILESO=C(Cn1ncc2c1-c1ccccc1OC2)NC1CCCCCC1
InChIInChI=1S/C19H23N3O2/c23-18(21-15-7-3-1-2-4-8-15)12-22-19-14(11-20-22)13-24-17-10-6-5-9-16(17)19/h5-6,9-11,15H,1-4,7-8,12-13H2,(H,21,23)
InChIKeyIMMRYXICDKDUPS-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.28
Rot. Bonds3

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

2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-cycloheptylacetamide (PubChem CID 20880033) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-cycloheptylacetamide
PubChem CID20880033
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-cycloheptylacetamide
SMILESO=C(Cn1ncc2c1-c1ccccc1OC2)NC1CCCCCC1
InChIInChI=1S/C19H23N3O2/c23-18(21-15-7-3-1-2-4-8-15)12-22-19-14(11-20-22)13-24-17-10-6-5-9-16(17)19/h5-6,9-11,15H,1-4,7-8,12-13H2,(H,21,23)
InChIKeyIMMRYXICDKDUPS-UHFFFAOYSA-N
XLogP3.28
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-cycloheptylacetamide?
The IUPAC name of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-cycloheptylacetamide (CID 20880033) is 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-cycloheptylacetamide.
What is the SMILES notation for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-cycloheptylacetamide?
The canonical SMILES for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-cycloheptylacetamide is O=C(Cn1ncc2c1-c1ccccc1OC2)NC1CCCCCC1.
What is the InChIKey of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-cycloheptylacetamide?
The InChIKey is IMMRYXICDKDUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c23-18(21-15-7-3-1-2-4-8-15)12-22-19-14(11-20-22)13-24-17-10-6-5-9-16(17)19/h5-6,9-11,15H,1-4,7-8,12-13H2,(H,21,23).
What are the key properties of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-cycloheptylacetamide?
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-cycloheptylacetamide has a molecular weight of 325.41 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-cycloheptylacetamide is sourced from PubChem (CID 20880033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).