N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide

C19H25N3O4S — CID 71808507

IUPACN-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)NCc2nn(C)c3c2COCC3)cc1
InChIInChI=1S/C19H25N3O4S/c1-13(2)27(24,25)15-6-4-14(5-7-15)10-19(23)20-11-17-16-12-26-9-8-18(16)22(3)21-17/h4-7,13H,8-12H2,1-3H3,(H,20,23)
InChIKeyPURVNJBKIYDJNG-UHFFFAOYSA-N
MW391.49 g/mol
LogP1.53
Rot. Bonds6

About N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide

N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide (PubChem CID 71808507) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
PubChem CID71808507
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC NameN-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)NCc2nn(C)c3c2COCC3)cc1
InChIInChI=1S/C19H25N3O4S/c1-13(2)27(24,25)15-6-4-14(5-7-15)10-19(23)20-11-17-16-12-26-9-8-18(16)22(3)21-17/h4-7,13H,8-12H2,1-3H3,(H,20,23)
InChIKeyPURVNJBKIYDJNG-UHFFFAOYSA-N
XLogP1.53
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The IUPAC name of N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide (CID 71808507) is N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide is CC(C)S(=O)(=O)c1ccc(CC(=O)NCc2nn(C)c3c2COCC3)cc1.
What is the InChIKey of N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The InChIKey is PURVNJBKIYDJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-13(2)27(24,25)15-6-4-14(5-7-15)10-19(23)20-11-17-16-12-26-9-8-18(16)22(3)21-17/h4-7,13H,8-12H2,1-3H3,(H,20,23).
What are the key properties of N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide has a molecular weight of 391.49 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 71808507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).