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

C11H19N3O — CID 118742979

IUPACN-[(2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]propan-2-amine
SMILESCC(C)NCC1OCCc2cn(C)nc21
InChIInChI=1S/C11H19N3O/c1-8(2)12-6-10-11-9(4-5-15-10)7-14(3)13-11/h7-8,10,12H,4-6H2,1-3H3
InChIKeyWQSLGJJXYCUCKI-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.03
Rot. Bonds3

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

N-[(2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]propan-2-amine (PubChem CID 118742979) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[(2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]propan-2-amine
PubChem CID118742979
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-[(2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]propan-2-amine
SMILESCC(C)NCC1OCCc2cn(C)nc21
InChIInChI=1S/C11H19N3O/c1-8(2)12-6-10-11-9(4-5-15-10)7-14(3)13-11/h7-8,10,12H,4-6H2,1-3H3
InChIKeyWQSLGJJXYCUCKI-UHFFFAOYSA-N
XLogP1.03
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

rac-[(2R,3S)-2-(1-ethyl-1H-pyrazol-5-yl)oxan-3-yl]methanamine
CID 122164258
rac-[(2R,3S)-2-(1-methyl-1H-pyrazol-5-yl)oxan-3-yl]methanamine
CID 122164438
2-(1-methyl-1H-pyrazol-5-yl)morpholine
CID 82597431
3-(methoxymethyl)-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97405714
2-[[1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methoxy]acetonitrile
CID 97405721
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]-2-methylsulfonylacetamide
CID 118739627

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]propan-2-amine?
The IUPAC name of N-[(2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]propan-2-amine (CID 118742979) is N-[(2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]propan-2-amine is CC(C)NCC1OCCc2cn(C)nc21.
What is the InChIKey of N-[(2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]propan-2-amine?
The InChIKey is WQSLGJJXYCUCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8(2)12-6-10-11-9(4-5-15-10)7-14(3)13-11/h7-8,10,12H,4-6H2,1-3H3.
What are the key properties of N-[(2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]propan-2-amine?
N-[(2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]propan-2-amine has a molecular weight of 209.29 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 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]propan-2-amine is sourced from PubChem (CID 118742979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).