3-(5-tert-butyl-1-methylpyrazol-4-yl)propan-1-amine

C11H21N3 — CID 83879605

IUPAC3-(5-tert-butyl-1-methylpyrazol-4-yl)propan-1-amine
SMILESCn1ncc(CCCN)c1C(C)(C)C
InChIInChI=1S/C11H21N3/c1-11(2,3)10-9(6-5-7-12)8-13-14(10)4/h8H,5-7,12H2,1-4H3
InChIKeySJWBXVZLLRUWAH-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.61
Rot. Bonds3

About 3-(5-tert-butyl-1-methylpyrazol-4-yl)propan-1-amine

3-(5-tert-butyl-1-methylpyrazol-4-yl)propan-1-amine (PubChem CID 83879605) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-(5-tert-butyl-1-methylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5-tert-butyl-1-methylpyrazol-4-yl)propan-1-amine
PubChem CID83879605
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name3-(5-tert-butyl-1-methylpyrazol-4-yl)propan-1-amine
SMILESCn1ncc(CCCN)c1C(C)(C)C
InChIInChI=1S/C11H21N3/c1-11(2,3)10-9(6-5-7-12)8-13-14(10)4/h8H,5-7,12H2,1-4H3
InChIKeySJWBXVZLLRUWAH-UHFFFAOYSA-N
XLogP1.61
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butyl-1-methylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 3-(5-tert-butyl-1-methylpyrazol-4-yl)propan-1-amine (CID 83879605) is 3-(5-tert-butyl-1-methylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 3-(5-tert-butyl-1-methylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 3-(5-tert-butyl-1-methylpyrazol-4-yl)propan-1-amine is Cn1ncc(CCCN)c1C(C)(C)C.
What is the InChIKey of 3-(5-tert-butyl-1-methylpyrazol-4-yl)propan-1-amine?
The InChIKey is SJWBXVZLLRUWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-11(2,3)10-9(6-5-7-12)8-13-14(10)4/h8H,5-7,12H2,1-4H3.
What are the key properties of 3-(5-tert-butyl-1-methylpyrazol-4-yl)propan-1-amine?
3-(5-tert-butyl-1-methylpyrazol-4-yl)propan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butyl-1-methylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 83879605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).