5-[(cyclobutylamino)methyl]-1H-pyrazol-4-amine

C8H14N4 — CID 117217708

IUPAC5-[(cyclobutylamino)methyl]-1H-pyrazol-4-amine
SMILESNc1cn[nH]c1CNC1CCC1
InChIInChI=1S/C8H14N4/c9-7-4-11-12-8(7)5-10-6-2-1-3-6/h4,6,10H,1-3,5,9H2,(H,11,12)
InChIKeyAQODHXUSXRUSKQ-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.63
Rot. Bonds3

About 5-[(cyclobutylamino)methyl]-1H-pyrazol-4-amine

5-[(cyclobutylamino)methyl]-1H-pyrazol-4-amine (PubChem CID 117217708) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 5-[(cyclobutylamino)methyl]-1H-pyrazol-4-amine.

Molecular Properties

Compound Name5-[(cyclobutylamino)methyl]-1H-pyrazol-4-amine
PubChem CID117217708
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name5-[(cyclobutylamino)methyl]-1H-pyrazol-4-amine
SMILESNc1cn[nH]c1CNC1CCC1
InChIInChI=1S/C8H14N4/c9-7-4-11-12-8(7)5-10-6-2-1-3-6/h4,6,10H,1-3,5,9H2,(H,11,12)
InChIKeyAQODHXUSXRUSKQ-UHFFFAOYSA-N
XLogP0.63
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(cyclobutylamino)methyl]-1H-pyrazol-4-amine?
The IUPAC name of 5-[(cyclobutylamino)methyl]-1H-pyrazol-4-amine (CID 117217708) is 5-[(cyclobutylamino)methyl]-1H-pyrazol-4-amine.
What is the SMILES notation for 5-[(cyclobutylamino)methyl]-1H-pyrazol-4-amine?
The canonical SMILES for 5-[(cyclobutylamino)methyl]-1H-pyrazol-4-amine is Nc1cn[nH]c1CNC1CCC1.
What is the InChIKey of 5-[(cyclobutylamino)methyl]-1H-pyrazol-4-amine?
The InChIKey is AQODHXUSXRUSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c9-7-4-11-12-8(7)5-10-6-2-1-3-6/h4,6,10H,1-3,5,9H2,(H,11,12).
What are the key properties of 5-[(cyclobutylamino)methyl]-1H-pyrazol-4-amine?
5-[(cyclobutylamino)methyl]-1H-pyrazol-4-amine has a molecular weight of 166.23 g/mol, XLogP of 0.63, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclobutylamino)methyl]-1H-pyrazol-4-amine is sourced from PubChem (CID 117217708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).