N-methyl-1-(1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl)methanamine

C8H13N3O — CID 83862575

IUPACN-methyl-1-(1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl)methanamine
SMILESCNCc1n[nH]c2c1CCOC2
InChIInChI=1S/C8H13N3O/c1-9-4-7-6-2-3-12-5-8(6)11-10-7/h9H,2-5H2,1H3,(H,10,11)
InChIKeyZJEKHHAZUSCCEK-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.20
Rot. Bonds2

About N-methyl-1-(1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl)methanamine

N-methyl-1-(1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl)methanamine (PubChem CID 83862575) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N-methyl-1-(1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl)methanamine
PubChem CID83862575
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN-methyl-1-(1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl)methanamine
SMILESCNCc1n[nH]c2c1CCOC2
InChIInChI=1S/C8H13N3O/c1-9-4-7-6-2-3-12-5-8(6)11-10-7/h9H,2-5H2,1H3,(H,10,11)
InChIKeyZJEKHHAZUSCCEK-UHFFFAOYSA-N
XLogP0.20
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl)methanamine?
The IUPAC name of N-methyl-1-(1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl)methanamine (CID 83862575) is N-methyl-1-(1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl)methanamine is CNCc1n[nH]c2c1CCOC2.
What is the InChIKey of N-methyl-1-(1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl)methanamine?
The InChIKey is ZJEKHHAZUSCCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-9-4-7-6-2-3-12-5-8(6)11-10-7/h9H,2-5H2,1H3,(H,10,11).
What are the key properties of N-methyl-1-(1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl)methanamine?
N-methyl-1-(1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl)methanamine has a molecular weight of 167.21 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl)methanamine is sourced from PubChem (CID 83862575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).