5-ethyl-4-methyl-N-(3-methylbut-2-enyl)-1H-pyrazol-3-amine

C11H19N3 — CID 130708875

IUPAC5-ethyl-4-methyl-N-(3-methylbut-2-enyl)-1H-pyrazol-3-amine
SMILESCCc1[nH]nc(NCC=C(C)C)c1C
InChIInChI=1S/C11H19N3/c1-5-10-9(4)11(14-13-10)12-7-6-8(2)3/h6H,5,7H2,1-4H3,(H2,12,13,14)
InChIKeyNFDGJLPLFJHJHQ-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.66
Rot. Bonds4

About 5-ethyl-4-methyl-N-(3-methylbut-2-enyl)-1H-pyrazol-3-amine

5-ethyl-4-methyl-N-(3-methylbut-2-enyl)-1H-pyrazol-3-amine (PubChem CID 130708875) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 5-ethyl-4-methyl-N-(3-methylbut-2-enyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-ethyl-4-methyl-N-(3-methylbut-2-enyl)-1H-pyrazol-3-amine
PubChem CID130708875
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name5-ethyl-4-methyl-N-(3-methylbut-2-enyl)-1H-pyrazol-3-amine
SMILESCCc1[nH]nc(NCC=C(C)C)c1C
InChIInChI=1S/C11H19N3/c1-5-10-9(4)11(14-13-10)12-7-6-8(2)3/h6H,5,7H2,1-4H3,(H2,12,13,14)
InChIKeyNFDGJLPLFJHJHQ-UHFFFAOYSA-N
XLogP2.66
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-N-(3-methylbut-2-enyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-ethyl-4-methyl-N-(3-methylbut-2-enyl)-1H-pyrazol-3-amine (CID 130708875) is 5-ethyl-4-methyl-N-(3-methylbut-2-enyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-ethyl-4-methyl-N-(3-methylbut-2-enyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-ethyl-4-methyl-N-(3-methylbut-2-enyl)-1H-pyrazol-3-amine is CCc1[nH]nc(NCC=C(C)C)c1C.
What is the InChIKey of 5-ethyl-4-methyl-N-(3-methylbut-2-enyl)-1H-pyrazol-3-amine?
The InChIKey is NFDGJLPLFJHJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-5-10-9(4)11(14-13-10)12-7-6-8(2)3/h6H,5,7H2,1-4H3,(H2,12,13,14).
What are the key properties of 5-ethyl-4-methyl-N-(3-methylbut-2-enyl)-1H-pyrazol-3-amine?
5-ethyl-4-methyl-N-(3-methylbut-2-enyl)-1H-pyrazol-3-amine has a molecular weight of 193.29 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-N-(3-methylbut-2-enyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 130708875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).