1,3,5-trimethyl-N-pentan-2-ylpyrazol-4-amine

C11H21N3 — CID 43204532

IUPAC1,3,5-trimethyl-N-pentan-2-ylpyrazol-4-amine
SMILESCCCC(C)Nc1c(C)nn(C)c1C
InChIInChI=1S/C11H21N3/c1-6-7-8(2)12-11-9(3)13-14(5)10(11)4/h8,12H,6-7H2,1-5H3
InChIKeySTUQSMCZONJFEE-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.64
Rot. Bonds4

About 1,3,5-trimethyl-N-pentan-2-ylpyrazol-4-amine

1,3,5-trimethyl-N-pentan-2-ylpyrazol-4-amine (PubChem CID 43204532) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-pentan-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name1,3,5-trimethyl-N-pentan-2-ylpyrazol-4-amine
PubChem CID43204532
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1,3,5-trimethyl-N-pentan-2-ylpyrazol-4-amine
SMILESCCCC(C)Nc1c(C)nn(C)c1C
InChIInChI=1S/C11H21N3/c1-6-7-8(2)12-11-9(3)13-14(5)10(11)4/h8,12H,6-7H2,1-5H3
InChIKeySTUQSMCZONJFEE-UHFFFAOYSA-N
XLogP2.64
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-pentan-2-ylpyrazol-4-amine?
The IUPAC name of 1,3,5-trimethyl-N-pentan-2-ylpyrazol-4-amine (CID 43204532) is 1,3,5-trimethyl-N-pentan-2-ylpyrazol-4-amine.
What is the SMILES notation for 1,3,5-trimethyl-N-pentan-2-ylpyrazol-4-amine?
The canonical SMILES for 1,3,5-trimethyl-N-pentan-2-ylpyrazol-4-amine is CCCC(C)Nc1c(C)nn(C)c1C.
What is the InChIKey of 1,3,5-trimethyl-N-pentan-2-ylpyrazol-4-amine?
The InChIKey is STUQSMCZONJFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-6-7-8(2)12-11-9(3)13-14(5)10(11)4/h8,12H,6-7H2,1-5H3.
What are the key properties of 1,3,5-trimethyl-N-pentan-2-ylpyrazol-4-amine?
1,3,5-trimethyl-N-pentan-2-ylpyrazol-4-amine has a molecular weight of 195.31 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-pentan-2-ylpyrazol-4-amine is sourced from PubChem (CID 43204532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).