3-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

C21H25N3O4 — CID 154579051

IUPAC3-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
SMILESO=C(CCc1nn(CC2CC2)c2c1COCC2)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C21H25N3O4/c25-21(22-15-3-5-19-20(11-15)28-10-9-27-19)6-4-17-16-13-26-8-7-18(16)24(23-17)12-14-1-2-14/h3,5,11,14H,1-2,4,6-10,12-13H2,(H,22,25)
InChIKeyRQKDWCHJYJGKPN-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.71
Rot. Bonds6

About 3-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

3-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide (PubChem CID 154579051) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 3-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide.

Molecular Properties

Compound Name3-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
PubChem CID154579051
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name3-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
SMILESO=C(CCc1nn(CC2CC2)c2c1COCC2)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C21H25N3O4/c25-21(22-15-3-5-19-20(11-15)28-10-9-27-19)6-4-17-16-13-26-8-7-18(16)24(23-17)12-14-1-2-14/h3,5,11,14H,1-2,4,6-10,12-13H2,(H,22,25)
InChIKeyRQKDWCHJYJGKPN-UHFFFAOYSA-N
XLogP2.71
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide with MolForge

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Related Compounds

N-[2-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethyl]-2-(4-methylphenyl)acetamide
CID 146073467
N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-yl)hexanediamide
CID 2930949
2-(cyclopropylmethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide;hydrochloride
CID 119669227
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110863362
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide
CID 42516837
2-(cyclopropylmethylamino)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 60841575
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 19520265
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methyl-1,3-oxazol-4-yl)propanamide
CID 110679338
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetamide
CID 19527325
4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide;hydrochloride
CID 120558603
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-hydroxyphenyl)propanamide
CID 71192997
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylpiperidin-4-yl)acetamide
CID 95969590

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The IUPAC name of 3-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide (CID 154579051) is 3-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide.
What is the SMILES notation for 3-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The canonical SMILES for 3-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide is O=C(CCc1nn(CC2CC2)c2c1COCC2)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 3-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The InChIKey is RQKDWCHJYJGKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c25-21(22-15-3-5-19-20(11-15)28-10-9-27-19)6-4-17-16-13-26-8-7-18(16)24(23-17)12-14-1-2-14/h3,5,11,14H,1-2,4,6-10,12-13H2,(H,22,25).
What are the key properties of 3-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
3-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide has a molecular weight of 383.45 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide is sourced from PubChem (CID 154579051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).