4-(2-methylpyrazol-3-yl)-1-propan-2-yloxybutan-2-amine

C11H21N3O — CID 103030382

IUPAC4-(2-methylpyrazol-3-yl)-1-propan-2-yloxybutan-2-amine
SMILESCC(C)OCC(N)CCc1ccnn1C
InChIInChI=1S/C11H21N3O/c1-9(2)15-8-10(12)4-5-11-6-7-13-14(11)3/h6-7,9-10H,4-5,8,12H2,1-3H3
InChIKeyMQXYFDBDXJHBOU-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.11
Rot. Bonds6

About 4-(2-methylpyrazol-3-yl)-1-propan-2-yloxybutan-2-amine

4-(2-methylpyrazol-3-yl)-1-propan-2-yloxybutan-2-amine (PubChem CID 103030382) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 4-(2-methylpyrazol-3-yl)-1-propan-2-yloxybutan-2-amine.

Molecular Properties

Compound Name4-(2-methylpyrazol-3-yl)-1-propan-2-yloxybutan-2-amine
PubChem CID103030382
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name4-(2-methylpyrazol-3-yl)-1-propan-2-yloxybutan-2-amine
SMILESCC(C)OCC(N)CCc1ccnn1C
InChIInChI=1S/C11H21N3O/c1-9(2)15-8-10(12)4-5-11-6-7-13-14(11)3/h6-7,9-10H,4-5,8,12H2,1-3H3
InChIKeyMQXYFDBDXJHBOU-UHFFFAOYSA-N
XLogP1.11
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpyrazol-3-yl)-1-propan-2-yloxybutan-2-amine?
The IUPAC name of 4-(2-methylpyrazol-3-yl)-1-propan-2-yloxybutan-2-amine (CID 103030382) is 4-(2-methylpyrazol-3-yl)-1-propan-2-yloxybutan-2-amine.
What is the SMILES notation for 4-(2-methylpyrazol-3-yl)-1-propan-2-yloxybutan-2-amine?
The canonical SMILES for 4-(2-methylpyrazol-3-yl)-1-propan-2-yloxybutan-2-amine is CC(C)OCC(N)CCc1ccnn1C.
What is the InChIKey of 4-(2-methylpyrazol-3-yl)-1-propan-2-yloxybutan-2-amine?
The InChIKey is MQXYFDBDXJHBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-9(2)15-8-10(12)4-5-11-6-7-13-14(11)3/h6-7,9-10H,4-5,8,12H2,1-3H3.
What are the key properties of 4-(2-methylpyrazol-3-yl)-1-propan-2-yloxybutan-2-amine?
4-(2-methylpyrazol-3-yl)-1-propan-2-yloxybutan-2-amine has a molecular weight of 211.31 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpyrazol-3-yl)-1-propan-2-yloxybutan-2-amine is sourced from PubChem (CID 103030382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).