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

C14H17N3O2S — CID 138033636

IUPAC2-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccsc1CNC(=O)Cn1cc2c(n1)CCOC2
InChIInChI=1S/C14H17N3O2S/c1-10-3-5-20-13(10)6-15-14(18)8-17-7-11-9-19-4-2-12(11)16-17/h3,5,7H,2,4,6,8-9H2,1H3,(H,15,18)
InChIKeyMJQOAUHCWABZQN-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.64
Rot. Bonds4

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

2-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide (PubChem CID 138033636) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
PubChem CID138033636
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccsc1CNC(=O)Cn1cc2c(n1)CCOC2
InChIInChI=1S/C14H17N3O2S/c1-10-3-5-20-13(10)6-15-14(18)8-17-7-11-9-19-4-2-12(11)16-17/h3,5,7H,2,4,6,8-9H2,1H3,(H,15,18)
InChIKeyMJQOAUHCWABZQN-UHFFFAOYSA-N
XLogP1.64
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide (CID 138033636) is 2-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide is Cc1ccsc1CNC(=O)Cn1cc2c(n1)CCOC2.
What is the InChIKey of 2-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The InChIKey is MJQOAUHCWABZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-10-3-5-20-13(10)6-15-14(18)8-17-7-11-9-19-4-2-12(11)16-17/h3,5,7H,2,4,6,8-9H2,1H3,(H,15,18).
What are the key properties of 2-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide?
2-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide has a molecular weight of 291.38 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 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-[(3-methylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 138033636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).