5-ethyl-1-(3-methylbutyl)pyrazol-4-amine

C10H19N3 — CID 66441839

IUPAC5-ethyl-1-(3-methylbutyl)pyrazol-4-amine
SMILESCCc1c(N)cnn1CCC(C)C
InChIInChI=1S/C10H19N3/c1-4-10-9(11)7-12-13(10)6-5-8(2)3/h7-8H,4-6,11H2,1-3H3
InChIKeyRMGUIIIBCAVDEL-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.07
Rot. Bonds4

About 5-ethyl-1-(3-methylbutyl)pyrazol-4-amine

5-ethyl-1-(3-methylbutyl)pyrazol-4-amine (PubChem CID 66441839) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 5-ethyl-1-(3-methylbutyl)pyrazol-4-amine.

Molecular Properties

Compound Name5-ethyl-1-(3-methylbutyl)pyrazol-4-amine
PubChem CID66441839
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name5-ethyl-1-(3-methylbutyl)pyrazol-4-amine
SMILESCCc1c(N)cnn1CCC(C)C
InChIInChI=1S/C10H19N3/c1-4-10-9(11)7-12-13(10)6-5-8(2)3/h7-8H,4-6,11H2,1-3H3
InChIKeyRMGUIIIBCAVDEL-UHFFFAOYSA-N
XLogP2.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(3-methylbutyl)pyrazol-4-amine?
The IUPAC name of 5-ethyl-1-(3-methylbutyl)pyrazol-4-amine (CID 66441839) is 5-ethyl-1-(3-methylbutyl)pyrazol-4-amine.
What is the SMILES notation for 5-ethyl-1-(3-methylbutyl)pyrazol-4-amine?
The canonical SMILES for 5-ethyl-1-(3-methylbutyl)pyrazol-4-amine is CCc1c(N)cnn1CCC(C)C.
What is the InChIKey of 5-ethyl-1-(3-methylbutyl)pyrazol-4-amine?
The InChIKey is RMGUIIIBCAVDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-4-10-9(11)7-12-13(10)6-5-8(2)3/h7-8H,4-6,11H2,1-3H3.
What are the key properties of 5-ethyl-1-(3-methylbutyl)pyrazol-4-amine?
5-ethyl-1-(3-methylbutyl)pyrazol-4-amine has a molecular weight of 181.28 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(3-methylbutyl)pyrazol-4-amine is sourced from PubChem (CID 66441839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).