1-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]propan-2-amine

C12H23N3O — CID 103037086

IUPAC1-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]propan-2-amine
SMILESCOC(C)(C)CCn1cc(CC(C)N)cn1
InChIInChI=1S/C12H23N3O/c1-10(13)7-11-8-14-15(9-11)6-5-12(2,3)16-4/h8-10H,5-7,13H2,1-4H3
InChIKeySVDCHSZNVWZNBT-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.59
Rot. Bonds6

About 1-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]propan-2-amine

1-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]propan-2-amine (PubChem CID 103037086) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]propan-2-amine
PubChem CID103037086
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]propan-2-amine
SMILESCOC(C)(C)CCn1cc(CC(C)N)cn1
InChIInChI=1S/C12H23N3O/c1-10(13)7-11-8-14-15(9-11)6-5-12(2,3)16-4/h8-10H,5-7,13H2,1-4H3
InChIKeySVDCHSZNVWZNBT-UHFFFAOYSA-N
XLogP1.59
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]propan-2-amine?
The IUPAC name of 1-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]propan-2-amine (CID 103037086) is 1-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]propan-2-amine.
What is the SMILES notation for 1-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]propan-2-amine?
The canonical SMILES for 1-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]propan-2-amine is COC(C)(C)CCn1cc(CC(C)N)cn1.
What is the InChIKey of 1-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]propan-2-amine?
The InChIKey is SVDCHSZNVWZNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-10(13)7-11-8-14-15(9-11)6-5-12(2,3)16-4/h8-10H,5-7,13H2,1-4H3.
What are the key properties of 1-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]propan-2-amine?
1-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]propan-2-amine has a molecular weight of 225.34 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]propan-2-amine is sourced from PubChem (CID 103037086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).