4-(3-aminopropyl)-1-tert-butylpyrazol-5-amine

C10H20N4 — CID 115069514

IUPAC4-(3-aminopropyl)-1-tert-butylpyrazol-5-amine
SMILESCC(C)(C)n1ncc(CCCN)c1N
InChIInChI=1S/C10H20N4/c1-10(2,3)14-9(12)8(7-13-14)5-4-6-11/h7H,4-6,11-12H2,1-3H3
InChIKeyHLDUOXPEBAMJAQ-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.11
Rot. Bonds3

About 4-(3-aminopropyl)-1-tert-butylpyrazol-5-amine

4-(3-aminopropyl)-1-tert-butylpyrazol-5-amine (PubChem CID 115069514) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 4-(3-aminopropyl)-1-tert-butylpyrazol-5-amine.

Molecular Properties

Compound Name4-(3-aminopropyl)-1-tert-butylpyrazol-5-amine
PubChem CID115069514
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name4-(3-aminopropyl)-1-tert-butylpyrazol-5-amine
SMILESCC(C)(C)n1ncc(CCCN)c1N
InChIInChI=1S/C10H20N4/c1-10(2,3)14-9(12)8(7-13-14)5-4-6-11/h7H,4-6,11-12H2,1-3H3
InChIKeyHLDUOXPEBAMJAQ-UHFFFAOYSA-N
XLogP1.11
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 51.11
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-tert-butylpyrazol-5-amine?
The IUPAC name of 4-(3-aminopropyl)-1-tert-butylpyrazol-5-amine (CID 115069514) is 4-(3-aminopropyl)-1-tert-butylpyrazol-5-amine.
What is the SMILES notation for 4-(3-aminopropyl)-1-tert-butylpyrazol-5-amine?
The canonical SMILES for 4-(3-aminopropyl)-1-tert-butylpyrazol-5-amine is CC(C)(C)n1ncc(CCCN)c1N.
What is the InChIKey of 4-(3-aminopropyl)-1-tert-butylpyrazol-5-amine?
The InChIKey is HLDUOXPEBAMJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-10(2,3)14-9(12)8(7-13-14)5-4-6-11/h7H,4-6,11-12H2,1-3H3.
What are the key properties of 4-(3-aminopropyl)-1-tert-butylpyrazol-5-amine?
4-(3-aminopropyl)-1-tert-butylpyrazol-5-amine has a molecular weight of 196.30 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-1-tert-butylpyrazol-5-amine is sourced from PubChem (CID 115069514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).