N-[(2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]oxan-4-amine

C13H21N3O2 — CID 118742971

IUPACN-[(2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]oxan-4-amine
SMILESCn1cc2c(n1)C(CNC1CCOCC1)OCC2
InChIInChI=1S/C13H21N3O2/c1-16-9-10-2-7-18-12(13(10)15-16)8-14-11-3-5-17-6-4-11/h9,11-12,14H,2-8H2,1H3
InChIKeyRMSHNKFFKNGKLW-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.80
Rot. Bonds3

About N-[(2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]oxan-4-amine

N-[(2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]oxan-4-amine (PubChem CID 118742971) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]oxan-4-amine.

Molecular Properties

Compound NameN-[(2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]oxan-4-amine
PubChem CID118742971
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-[(2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]oxan-4-amine
SMILESCn1cc2c(n1)C(CNC1CCOCC1)OCC2
InChIInChI=1S/C13H21N3O2/c1-16-9-10-2-7-18-12(13(10)15-16)8-14-11-3-5-17-6-4-11/h9,11-12,14H,2-8H2,1H3
InChIKeyRMSHNKFFKNGKLW-UHFFFAOYSA-N
XLogP0.80
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]oxan-4-amine with MolForge

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Related Compounds

rac-[(2R,3S)-2-(1-ethyl-1H-pyrazol-5-yl)oxan-3-yl]methanamine
CID 122164258
N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]ethanesulfonamide
CID 118739197
N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]propane-1-sulfonamide
CID 118739198
N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]ethanesulfonamide
CID 118739199
N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]methanesulfonamide
CID 118739202
7-[(dimethylsulfamoylamino)methyl]-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole
CID 118739203
N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]methanesulfonamide
CID 118739300
N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]oxan-4-amine
CID 118742962
N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]oxan-4-amine
CID 118742969
N-[(2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]propan-2-amine
CID 118742979
N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide
CID 118743143
N-[(2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-1-(oxan-4-yl)methanamine
CID 118745792

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]oxan-4-amine?
The IUPAC name of N-[(2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]oxan-4-amine (CID 118742971) is N-[(2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]oxan-4-amine.
What is the SMILES notation for N-[(2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]oxan-4-amine?
The canonical SMILES for N-[(2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]oxan-4-amine is Cn1cc2c(n1)C(CNC1CCOCC1)OCC2.
What is the InChIKey of N-[(2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]oxan-4-amine?
The InChIKey is RMSHNKFFKNGKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-16-9-10-2-7-18-12(13(10)15-16)8-14-11-3-5-17-6-4-11/h9,11-12,14H,2-8H2,1H3.
What are the key properties of N-[(2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]oxan-4-amine?
N-[(2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]oxan-4-amine has a molecular weight of 251.33 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]oxan-4-amine is sourced from PubChem (CID 118742971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).