1-[2-[butyl(methyl)amino]ethyl]pyrazol-3-amine

C10H20N4 — CID 63318104

IUPAC1-[2-[butyl(methyl)amino]ethyl]pyrazol-3-amine
SMILESCCCCN(C)CCn1ccc(N)n1
InChIInChI=1S/C10H20N4/c1-3-4-6-13(2)8-9-14-7-5-10(11)12-14/h5,7H,3-4,6,8-9H2,1-2H3,(H2,11,12)
InChIKeyWDQGQVBYWNEBKJ-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.20
Rot. Bonds6

About 1-[2-[butyl(methyl)amino]ethyl]pyrazol-3-amine

1-[2-[butyl(methyl)amino]ethyl]pyrazol-3-amine (PubChem CID 63318104) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 1-[2-[butyl(methyl)amino]ethyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[2-[butyl(methyl)amino]ethyl]pyrazol-3-amine
PubChem CID63318104
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name1-[2-[butyl(methyl)amino]ethyl]pyrazol-3-amine
SMILESCCCCN(C)CCn1ccc(N)n1
InChIInChI=1S/C10H20N4/c1-3-4-6-13(2)8-9-14-7-5-10(11)12-14/h5,7H,3-4,6,8-9H2,1-2H3,(H2,11,12)
InChIKeyWDQGQVBYWNEBKJ-UHFFFAOYSA-N
XLogP1.20
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[butyl(methyl)amino]ethyl]pyrazol-3-amine?
The IUPAC name of 1-[2-[butyl(methyl)amino]ethyl]pyrazol-3-amine (CID 63318104) is 1-[2-[butyl(methyl)amino]ethyl]pyrazol-3-amine.
What is the SMILES notation for 1-[2-[butyl(methyl)amino]ethyl]pyrazol-3-amine?
The canonical SMILES for 1-[2-[butyl(methyl)amino]ethyl]pyrazol-3-amine is CCCCN(C)CCn1ccc(N)n1.
What is the InChIKey of 1-[2-[butyl(methyl)amino]ethyl]pyrazol-3-amine?
The InChIKey is WDQGQVBYWNEBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-3-4-6-13(2)8-9-14-7-5-10(11)12-14/h5,7H,3-4,6,8-9H2,1-2H3,(H2,11,12).
What are the key properties of 1-[2-[butyl(methyl)amino]ethyl]pyrazol-3-amine?
1-[2-[butyl(methyl)amino]ethyl]pyrazol-3-amine has a molecular weight of 196.30 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 1-[2-[butyl(methyl)amino]ethyl]pyrazol-3-amine is sourced from PubChem (CID 63318104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).