5-(2-methyloxan-2-yl)-1H-pyrazol-3-amine

C9H15N3O — CID 115015921

IUPAC5-(2-methyloxan-2-yl)-1H-pyrazol-3-amine
SMILESCC1(c2cc(N)n[nH]2)CCCCO1
InChIInChI=1S/C9H15N3O/c1-9(4-2-3-5-13-9)7-6-8(10)12-11-7/h6H,2-5H2,1H3,(H3,10,11,12)
InChIKeyMLHNAJJSZYBFIR-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.41
Rot. Bonds1

About 5-(2-methyloxan-2-yl)-1H-pyrazol-3-amine

5-(2-methyloxan-2-yl)-1H-pyrazol-3-amine (PubChem CID 115015921) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-(2-methyloxan-2-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2-methyloxan-2-yl)-1H-pyrazol-3-amine
PubChem CID115015921
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name5-(2-methyloxan-2-yl)-1H-pyrazol-3-amine
SMILESCC1(c2cc(N)n[nH]2)CCCCO1
InChIInChI=1S/C9H15N3O/c1-9(4-2-3-5-13-9)7-6-8(10)12-11-7/h6H,2-5H2,1H3,(H3,10,11,12)
InChIKeyMLHNAJJSZYBFIR-UHFFFAOYSA-N
XLogP1.41
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methyloxan-2-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(2-methyloxan-2-yl)-1H-pyrazol-3-amine (CID 115015921) is 5-(2-methyloxan-2-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2-methyloxan-2-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2-methyloxan-2-yl)-1H-pyrazol-3-amine is CC1(c2cc(N)n[nH]2)CCCCO1.
What is the InChIKey of 5-(2-methyloxan-2-yl)-1H-pyrazol-3-amine?
The InChIKey is MLHNAJJSZYBFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-9(4-2-3-5-13-9)7-6-8(10)12-11-7/h6H,2-5H2,1H3,(H3,10,11,12).
What are the key properties of 5-(2-methyloxan-2-yl)-1H-pyrazol-3-amine?
5-(2-methyloxan-2-yl)-1H-pyrazol-3-amine has a molecular weight of 181.24 g/mol, XLogP of 1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyloxan-2-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 115015921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).