1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-1-amine

C11H21N3 — CID 105083062

IUPAC1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-1-amine
SMILESCCc1cc(C(N)CC(C)C)n(C)n1
InChIInChI=1S/C11H21N3/c1-5-9-7-11(14(4)13-9)10(12)6-8(2)3/h7-8,10H,5-6,12H2,1-4H3
InChIKeyUXMDOQFQDHKOHD-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.03
Rot. Bonds4

About 1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-1-amine

1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-1-amine (PubChem CID 105083062) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-1-amine
PubChem CID105083062
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-1-amine
SMILESCCc1cc(C(N)CC(C)C)n(C)n1
InChIInChI=1S/C11H21N3/c1-5-9-7-11(14(4)13-9)10(12)6-8(2)3/h7-8,10H,5-6,12H2,1-4H3
InChIKeyUXMDOQFQDHKOHD-UHFFFAOYSA-N
XLogP2.03
TPSA43.84 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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethyl-1-methylpyrazol-5-yl)-5-methylhexan-1-amine
CID 105177018
1-(3-ethyl-1-methylpyrazol-5-yl)undecan-1-amine
CID 105138150
1-(3-ethyl-1-methylpyrazol-5-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105171468
1-(3-ethyl-1-methylpyrazol-5-yl)hex-5-en-1-amine
CID 105153055
1-(3-ethyl-1-methylpyrazol-5-yl)hex-4-yn-1-amine
CID 105181413
1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylpropan-1-ol
CID 105133596
2-(3-bromo-5-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 105169370
3-methyl-1-(3-methyltriazol-4-yl)butan-1-amine
CID 114686985
1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylbutan-1-ol
CID 105116539
(2-ethylcyclohexyl)-(3-ethyl-1-methylpyrazol-5-yl)methanamine
CID 105151143
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)propan-1-amine
CID 105078995
(3-ethyl-1-methylpyrazol-5-yl)-(3-methylthiophen-2-yl)methanamine
CID 105166440

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-1-amine?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-1-amine (CID 105083062) is 1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-1-amine.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-1-amine?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-1-amine is CCc1cc(C(N)CC(C)C)n(C)n1.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-1-amine?
The InChIKey is UXMDOQFQDHKOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-5-9-7-11(14(4)13-9)10(12)6-8(2)3/h7-8,10H,5-6,12H2,1-4H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-1-amine?
1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 105083062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).