1-(5-methyl-3-pyridinyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine

C12H14N4O — CID 107587248

IUPAC1-(5-methyl-3-pyridinyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine
SMILESCc1cncc(-n2nc(N)c3c2CCOC3)c1
InChIInChI=1S/C12H14N4O/c1-8-4-9(6-14-5-8)16-11-2-3-17-7-10(11)12(13)15-16/h4-6H,2-3,7H2,1H3,(H2,13,15)
InChIKeySNBSGUBJTPEAGX-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.23
Rot. Bonds1

About 1-(5-methyl-3-pyridinyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine

1-(5-methyl-3-pyridinyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine (PubChem CID 107587248) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-(5-methyl-3-pyridinyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine.

Molecular Properties

Compound Name1-(5-methyl-3-pyridinyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine
PubChem CID107587248
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name1-(5-methyl-3-pyridinyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine
SMILESCc1cncc(-n2nc(N)c3c2CCOC3)c1
InChIInChI=1S/C12H14N4O/c1-8-4-9(6-14-5-8)16-11-2-3-17-7-10(11)12(13)15-16/h4-6H,2-3,7H2,1H3,(H2,13,15)
InChIKeySNBSGUBJTPEAGX-UHFFFAOYSA-N
XLogP1.23
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-3-pyridinyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine?
The IUPAC name of 1-(5-methyl-3-pyridinyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine (CID 107587248) is 1-(5-methyl-3-pyridinyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine.
What is the SMILES notation for 1-(5-methyl-3-pyridinyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine?
The canonical SMILES for 1-(5-methyl-3-pyridinyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine is Cc1cncc(-n2nc(N)c3c2CCOC3)c1.
What is the InChIKey of 1-(5-methyl-3-pyridinyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine?
The InChIKey is SNBSGUBJTPEAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-8-4-9(6-14-5-8)16-11-2-3-17-7-10(11)12(13)15-16/h4-6H,2-3,7H2,1H3,(H2,13,15).
What are the key properties of 1-(5-methyl-3-pyridinyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine?
1-(5-methyl-3-pyridinyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine has a molecular weight of 230.27 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-3-pyridinyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine is sourced from PubChem (CID 107587248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).