4-(1-cyclopropyl-3-methylpyrazol-4-yl)oxybutan-2-amine

C11H19N3O — CID 170591814

IUPAC4-(1-cyclopropyl-3-methylpyrazol-4-yl)oxybutan-2-amine
SMILESCc1nn(C2CC2)cc1OCCC(C)N
InChIInChI=1S/C11H19N3O/c1-8(12)5-6-15-11-7-14(10-3-4-10)13-9(11)2/h7-8,10H,3-6,12H2,1-2H3
InChIKeyBWVBTDUDMPDESL-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.64
Rot. Bonds5

About 4-(1-cyclopropyl-3-methylpyrazol-4-yl)oxybutan-2-amine

4-(1-cyclopropyl-3-methylpyrazol-4-yl)oxybutan-2-amine (PubChem CID 170591814) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-(1-cyclopropyl-3-methylpyrazol-4-yl)oxybutan-2-amine.

Molecular Properties

Compound Name4-(1-cyclopropyl-3-methylpyrazol-4-yl)oxybutan-2-amine
PubChem CID170591814
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4-(1-cyclopropyl-3-methylpyrazol-4-yl)oxybutan-2-amine
SMILESCc1nn(C2CC2)cc1OCCC(C)N
InChIInChI=1S/C11H19N3O/c1-8(12)5-6-15-11-7-14(10-3-4-10)13-9(11)2/h7-8,10H,3-6,12H2,1-2H3
InChIKeyBWVBTDUDMPDESL-UHFFFAOYSA-N
XLogP1.64
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropyl-3-methylpyrazol-4-yl)oxybutan-2-amine?
The IUPAC name of 4-(1-cyclopropyl-3-methylpyrazol-4-yl)oxybutan-2-amine (CID 170591814) is 4-(1-cyclopropyl-3-methylpyrazol-4-yl)oxybutan-2-amine.
What is the SMILES notation for 4-(1-cyclopropyl-3-methylpyrazol-4-yl)oxybutan-2-amine?
The canonical SMILES for 4-(1-cyclopropyl-3-methylpyrazol-4-yl)oxybutan-2-amine is Cc1nn(C2CC2)cc1OCCC(C)N.
What is the InChIKey of 4-(1-cyclopropyl-3-methylpyrazol-4-yl)oxybutan-2-amine?
The InChIKey is BWVBTDUDMPDESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8(12)5-6-15-11-7-14(10-3-4-10)13-9(11)2/h7-8,10H,3-6,12H2,1-2H3.
What are the key properties of 4-(1-cyclopropyl-3-methylpyrazol-4-yl)oxybutan-2-amine?
4-(1-cyclopropyl-3-methylpyrazol-4-yl)oxybutan-2-amine has a molecular weight of 209.29 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropyl-3-methylpyrazol-4-yl)oxybutan-2-amine is sourced from PubChem (CID 170591814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).