2,4-dihydrochromeno[4,3-c]pyrazol-3-yl(pyrrolidin-1-yl)methanone

C15H15N3O2 — CID 16654607

IUPAC2,4-dihydrochromeno[4,3-c]pyrazol-3-yl(pyrrolidin-1-yl)methanone
SMILESO=C(c1[nH]nc2c1COc1ccccc1-2)N1CCCC1
InChIInChI=1S/C15H15N3O2/c19-15(18-7-3-4-8-18)14-11-9-20-12-6-2-1-5-10(12)13(11)16-17-14/h1-2,5-6H,3-4,7-9H2,(H,16,17)
InChIKeyNZRAHJBIECNCGM-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.21
Rot. Bonds1

About 2,4-dihydrochromeno[4,3-c]pyrazol-3-yl(pyrrolidin-1-yl)methanone

2,4-dihydrochromeno[4,3-c]pyrazol-3-yl(pyrrolidin-1-yl)methanone (PubChem CID 16654607) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2,4-dihydrochromeno[4,3-c]pyrazol-3-yl(pyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name2,4-dihydrochromeno[4,3-c]pyrazol-3-yl(pyrrolidin-1-yl)methanone
PubChem CID16654607
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name2,4-dihydrochromeno[4,3-c]pyrazol-3-yl(pyrrolidin-1-yl)methanone
SMILESO=C(c1[nH]nc2c1COc1ccccc1-2)N1CCCC1
InChIInChI=1S/C15H15N3O2/c19-15(18-7-3-4-8-18)14-11-9-20-12-6-2-1-5-10(12)13(11)16-17-14/h1-2,5-6H,3-4,7-9H2,(H,16,17)
InChIKeyNZRAHJBIECNCGM-UHFFFAOYSA-N
XLogP2.21
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dihydrochromeno[4,3-c]pyrazol-3-yl(pyrrolidin-1-yl)methanone?
The IUPAC name of 2,4-dihydrochromeno[4,3-c]pyrazol-3-yl(pyrrolidin-1-yl)methanone (CID 16654607) is 2,4-dihydrochromeno[4,3-c]pyrazol-3-yl(pyrrolidin-1-yl)methanone.
What is the SMILES notation for 2,4-dihydrochromeno[4,3-c]pyrazol-3-yl(pyrrolidin-1-yl)methanone?
The canonical SMILES for 2,4-dihydrochromeno[4,3-c]pyrazol-3-yl(pyrrolidin-1-yl)methanone is O=C(c1[nH]nc2c1COc1ccccc1-2)N1CCCC1.
What is the InChIKey of 2,4-dihydrochromeno[4,3-c]pyrazol-3-yl(pyrrolidin-1-yl)methanone?
The InChIKey is NZRAHJBIECNCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c19-15(18-7-3-4-8-18)14-11-9-20-12-6-2-1-5-10(12)13(11)16-17-14/h1-2,5-6H,3-4,7-9H2,(H,16,17).
What are the key properties of 2,4-dihydrochromeno[4,3-c]pyrazol-3-yl(pyrrolidin-1-yl)methanone?
2,4-dihydrochromeno[4,3-c]pyrazol-3-yl(pyrrolidin-1-yl)methanone has a molecular weight of 269.30 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydrochromeno[4,3-c]pyrazol-3-yl(pyrrolidin-1-yl)methanone is sourced from PubChem (CID 16654607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).