1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-N-methylpropan-1-amine

C12H23N3 — CID 62730290

IUPAC1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-N-methylpropan-1-amine
SMILESCCC(NC)c1c(C)nn(C(C)C)c1C
InChIInChI=1S/C12H23N3/c1-7-11(13-6)12-9(4)14-15(8(2)3)10(12)5/h8,11,13H,7H2,1-6H3
InChIKeyPRXWSYHKOGPJMC-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.75
Rot. Bonds4

About 1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-N-methylpropan-1-amine

1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-N-methylpropan-1-amine (PubChem CID 62730290) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-N-methylpropan-1-amine
PubChem CID62730290
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-N-methylpropan-1-amine
SMILESCCC(NC)c1c(C)nn(C(C)C)c1C
InChIInChI=1S/C12H23N3/c1-7-11(13-6)12-9(4)14-15(8(2)3)10(12)5/h8,11,13H,7H2,1-6H3
InChIKeyPRXWSYHKOGPJMC-UHFFFAOYSA-N
XLogP2.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-N-methylpropan-1-amine?
The IUPAC name of 1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-N-methylpropan-1-amine (CID 62730290) is 1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-N-methylpropan-1-amine is CCC(NC)c1c(C)nn(C(C)C)c1C.
What is the InChIKey of 1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-N-methylpropan-1-amine?
The InChIKey is PRXWSYHKOGPJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-7-11(13-6)12-9(4)14-15(8(2)3)10(12)5/h8,11,13H,7H2,1-6H3.
What are the key properties of 1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-N-methylpropan-1-amine?
1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-N-methylpropan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 62730290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).