2-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-N-[(2-fluorophenyl)methyl]acetamide

C15H16FN3O2 — CID 138033643

IUPAC2-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-N-[(2-fluorophenyl)methyl]acetamide
SMILESO=C(Cn1cc2c(n1)CCOC2)NCc1ccccc1F
InChIInChI=1S/C15H16FN3O2/c16-13-4-2-1-3-11(13)7-17-15(20)9-19-8-12-10-21-6-5-14(12)18-19/h1-4,8H,5-7,9-10H2,(H,17,20)
InChIKeyACCVXUFQUOVTLN-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.41
Rot. Bonds4

About 2-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-N-[(2-fluorophenyl)methyl]acetamide

2-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 138033643) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID138033643
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name2-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-N-[(2-fluorophenyl)methyl]acetamide
SMILESO=C(Cn1cc2c(n1)CCOC2)NCc1ccccc1F
InChIInChI=1S/C15H16FN3O2/c16-13-4-2-1-3-11(13)7-17-15(20)9-19-8-12-10-21-6-5-14(12)18-19/h1-4,8H,5-7,9-10H2,(H,17,20)
InChIKeyACCVXUFQUOVTLN-UHFFFAOYSA-N
XLogP1.41
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 20892306
CID 20892306
CID 91629688
CID 91629688
CID 20892320
CID 20892320
CID 50980452
CID 50980452
CID 132428093
CID 132428093
CID 58267658
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CID 140898165
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CID 33288169
CID 33288169

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-N-[(2-fluorophenyl)methyl]acetamide (CID 138033643) is 2-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-N-[(2-fluorophenyl)methyl]acetamide is O=C(Cn1cc2c(n1)CCOC2)NCc1ccccc1F.
What is the InChIKey of 2-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is ACCVXUFQUOVTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c16-13-4-2-1-3-11(13)7-17-15(20)9-19-8-12-10-21-6-5-14(12)18-19/h1-4,8H,5-7,9-10H2,(H,17,20).
What are the key properties of 2-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-N-[(2-fluorophenyl)methyl]acetamide?
2-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 289.31 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 138033643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).