4-(3-aminopropyl)-1-ethylpyrazol-5-amine

C8H16N4 — CID 115069512

IUPAC4-(3-aminopropyl)-1-ethylpyrazol-5-amine
SMILESCCn1ncc(CCCN)c1N
InChIInChI=1S/C8H16N4/c1-2-12-8(10)7(6-11-12)4-3-5-9/h6H,2-5,9-10H2,1H3
InChIKeySQIKPXXIICGAPK-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.38
Rot. Bonds4

About 4-(3-aminopropyl)-1-ethylpyrazol-5-amine

4-(3-aminopropyl)-1-ethylpyrazol-5-amine (PubChem CID 115069512) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-(3-aminopropyl)-1-ethylpyrazol-5-amine.

Molecular Properties

Compound Name4-(3-aminopropyl)-1-ethylpyrazol-5-amine
PubChem CID115069512
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name4-(3-aminopropyl)-1-ethylpyrazol-5-amine
SMILESCCn1ncc(CCCN)c1N
InChIInChI=1S/C8H16N4/c1-2-12-8(10)7(6-11-12)4-3-5-9/h6H,2-5,9-10H2,1H3
InChIKeySQIKPXXIICGAPK-UHFFFAOYSA-N
XLogP0.38
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-1-ethylpyrazol-5-amine?
The IUPAC name of 4-(3-aminopropyl)-1-ethylpyrazol-5-amine (CID 115069512) is 4-(3-aminopropyl)-1-ethylpyrazol-5-amine.
What is the SMILES notation for 4-(3-aminopropyl)-1-ethylpyrazol-5-amine?
The canonical SMILES for 4-(3-aminopropyl)-1-ethylpyrazol-5-amine is CCn1ncc(CCCN)c1N.
What is the InChIKey of 4-(3-aminopropyl)-1-ethylpyrazol-5-amine?
The InChIKey is SQIKPXXIICGAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-2-12-8(10)7(6-11-12)4-3-5-9/h6H,2-5,9-10H2,1H3.
What are the key properties of 4-(3-aminopropyl)-1-ethylpyrazol-5-amine?
4-(3-aminopropyl)-1-ethylpyrazol-5-amine has a molecular weight of 168.24 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-1-ethylpyrazol-5-amine is sourced from PubChem (CID 115069512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).