(5-methoxy-3-methyl-1-propan-2-ylpyrazol-4-yl)methanamine

C9H17N3O — CID 117124496

IUPAC(5-methoxy-3-methyl-1-propan-2-ylpyrazol-4-yl)methanamine
SMILESCOc1c(CN)c(C)nn1C(C)C
InChIInChI=1S/C9H17N3O/c1-6(2)12-9(13-4)8(5-10)7(3)11-12/h6H,5,10H2,1-4H3
InChIKeyBVPKCJDABPNZCW-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.24
Rot. Bonds3

About (5-methoxy-3-methyl-1-propan-2-ylpyrazol-4-yl)methanamine

(5-methoxy-3-methyl-1-propan-2-ylpyrazol-4-yl)methanamine (PubChem CID 117124496) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is (5-methoxy-3-methyl-1-propan-2-ylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(5-methoxy-3-methyl-1-propan-2-ylpyrazol-4-yl)methanamine
PubChem CID117124496
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name(5-methoxy-3-methyl-1-propan-2-ylpyrazol-4-yl)methanamine
SMILESCOc1c(CN)c(C)nn1C(C)C
InChIInChI=1S/C9H17N3O/c1-6(2)12-9(13-4)8(5-10)7(3)11-12/h6H,5,10H2,1-4H3
InChIKeyBVPKCJDABPNZCW-UHFFFAOYSA-N
XLogP1.24
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methoxy-3-methyl-1-propan-2-ylpyrazol-4-yl)methanamine?
The IUPAC name of (5-methoxy-3-methyl-1-propan-2-ylpyrazol-4-yl)methanamine (CID 117124496) is (5-methoxy-3-methyl-1-propan-2-ylpyrazol-4-yl)methanamine.
What is the SMILES notation for (5-methoxy-3-methyl-1-propan-2-ylpyrazol-4-yl)methanamine?
The canonical SMILES for (5-methoxy-3-methyl-1-propan-2-ylpyrazol-4-yl)methanamine is COc1c(CN)c(C)nn1C(C)C.
What is the InChIKey of (5-methoxy-3-methyl-1-propan-2-ylpyrazol-4-yl)methanamine?
The InChIKey is BVPKCJDABPNZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-6(2)12-9(13-4)8(5-10)7(3)11-12/h6H,5,10H2,1-4H3.
What are the key properties of (5-methoxy-3-methyl-1-propan-2-ylpyrazol-4-yl)methanamine?
(5-methoxy-3-methyl-1-propan-2-ylpyrazol-4-yl)methanamine has a molecular weight of 183.25 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-3-methyl-1-propan-2-ylpyrazol-4-yl)methanamine is sourced from PubChem (CID 117124496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).