1-[1-(dimethylamino)propyl]pyrazol-4-amine

C8H16N4 — CID 142790430

IUPAC1-[1-(dimethylamino)propyl]pyrazol-4-amine
SMILESCCC(N(C)C)n1cc(N)cn1
InChIInChI=1S/C8H16N4/c1-4-8(11(2)3)12-6-7(9)5-10-12/h5-6,8H,4,9H2,1-3H3
InChIKeyNJSGXANFOLXIPS-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.94
Rot. Bonds3

About 1-[1-(dimethylamino)propyl]pyrazol-4-amine

1-[1-(dimethylamino)propyl]pyrazol-4-amine (PubChem CID 142790430) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-[1-(dimethylamino)propyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[1-(dimethylamino)propyl]pyrazol-4-amine
PubChem CID142790430
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name1-[1-(dimethylamino)propyl]pyrazol-4-amine
SMILESCCC(N(C)C)n1cc(N)cn1
InChIInChI=1S/C8H16N4/c1-4-8(11(2)3)12-6-7(9)5-10-12/h5-6,8H,4,9H2,1-3H3
InChIKeyNJSGXANFOLXIPS-UHFFFAOYSA-N
XLogP0.94
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)propyl]pyrazol-4-amine?
The IUPAC name of 1-[1-(dimethylamino)propyl]pyrazol-4-amine (CID 142790430) is 1-[1-(dimethylamino)propyl]pyrazol-4-amine.
What is the SMILES notation for 1-[1-(dimethylamino)propyl]pyrazol-4-amine?
The canonical SMILES for 1-[1-(dimethylamino)propyl]pyrazol-4-amine is CCC(N(C)C)n1cc(N)cn1.
What is the InChIKey of 1-[1-(dimethylamino)propyl]pyrazol-4-amine?
The InChIKey is NJSGXANFOLXIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-4-8(11(2)3)12-6-7(9)5-10-12/h5-6,8H,4,9H2,1-3H3.
What are the key properties of 1-[1-(dimethylamino)propyl]pyrazol-4-amine?
1-[1-(dimethylamino)propyl]pyrazol-4-amine has a molecular weight of 168.24 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)propyl]pyrazol-4-amine is sourced from PubChem (CID 142790430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).