3-[1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine

C13H26N4 — CID 79224869

IUPAC3-[1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine
SMILESCc1nn(CCN(C)C)c(C)c1CC(C)CN
InChIInChI=1S/C13H26N4/c1-10(9-14)8-13-11(2)15-17(12(13)3)7-6-16(4)5/h10H,6-9,14H2,1-5H3
InChIKeyXZGRCMCLNJPFIN-UHFFFAOYSA-N
MW238.38 g/mol
LogP1.20
Rot. Bonds6

About 3-[1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine

3-[1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine (PubChem CID 79224869) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 3-[1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-[1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine
PubChem CID79224869
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name3-[1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine
SMILESCc1nn(CCN(C)C)c(C)c1CC(C)CN
InChIInChI=1S/C13H26N4/c1-10(9-14)8-13-11(2)15-17(12(13)3)7-6-16(4)5/h10H,6-9,14H2,1-5H3
InChIKeyXZGRCMCLNJPFIN-UHFFFAOYSA-N
XLogP1.20
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine?
The IUPAC name of 3-[1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine (CID 79224869) is 3-[1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 3-[1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine?
The canonical SMILES for 3-[1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine is Cc1nn(CCN(C)C)c(C)c1CC(C)CN.
What is the InChIKey of 3-[1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine?
The InChIKey is XZGRCMCLNJPFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-10(9-14)8-13-11(2)15-17(12(13)3)7-6-16(4)5/h10H,6-9,14H2,1-5H3.
What are the key properties of 3-[1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine?
3-[1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine has a molecular weight of 238.38 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 79224869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).