5-[(cyclopropylamino)methyl]-1-methylpyrazol-4-amine

C8H14N4 — CID 117217706

IUPAC5-[(cyclopropylamino)methyl]-1-methylpyrazol-4-amine
SMILESCn1ncc(N)c1CNC1CC1
InChIInChI=1S/C8H14N4/c1-12-8(7(9)4-11-12)5-10-6-2-3-6/h4,6,10H,2-3,5,9H2,1H3
InChIKeyBTRDAXNHGXFVOX-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.25
Rot. Bonds3

About 5-[(cyclopropylamino)methyl]-1-methylpyrazol-4-amine

5-[(cyclopropylamino)methyl]-1-methylpyrazol-4-amine (PubChem CID 117217706) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-1-methylpyrazol-4-amine
PubChem CID117217706
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name5-[(cyclopropylamino)methyl]-1-methylpyrazol-4-amine
SMILESCn1ncc(N)c1CNC1CC1
InChIInChI=1S/C8H14N4/c1-12-8(7(9)4-11-12)5-10-6-2-3-6/h4,6,10H,2-3,5,9H2,1H3
InChIKeyBTRDAXNHGXFVOX-UHFFFAOYSA-N
XLogP0.25
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-1-methylpyrazol-4-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-1-methylpyrazol-4-amine (CID 117217706) is 5-[(cyclopropylamino)methyl]-1-methylpyrazol-4-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-1-methylpyrazol-4-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-1-methylpyrazol-4-amine is Cn1ncc(N)c1CNC1CC1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-1-methylpyrazol-4-amine?
The InChIKey is BTRDAXNHGXFVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-12-8(7(9)4-11-12)5-10-6-2-3-6/h4,6,10H,2-3,5,9H2,1H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-1-methylpyrazol-4-amine?
5-[(cyclopropylamino)methyl]-1-methylpyrazol-4-amine has a molecular weight of 166.23 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-1-methylpyrazol-4-amine is sourced from PubChem (CID 117217706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).