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

C13H25N3 — CID 105168439

IUPAC2-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-1-amine
SMILESCCc1cc(C(NC)C(CC)CC)n(C)n1
InChIInChI=1S/C13H25N3/c1-6-10(7-2)13(14-4)12-9-11(8-3)15-16(12)5/h9-10,13-14H,6-8H2,1-5H3
InChIKeyMRQFXHCMQNDUJE-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.68
Rot. Bonds6

About 2-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-1-amine

2-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-1-amine (PubChem CID 105168439) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-1-amine
PubChem CID105168439
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name2-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-1-amine
SMILESCCc1cc(C(NC)C(CC)CC)n(C)n1
InChIInChI=1S/C13H25N3/c1-6-10(7-2)13(14-4)12-9-11(8-3)15-16(12)5/h9-10,13-14H,6-8H2,1-5H3
InChIKeyMRQFXHCMQNDUJE-UHFFFAOYSA-N
XLogP2.68
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)propan-1-amine
CID 105078995
1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylnonan-1-amine
CID 105127778
3-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylheptan-1-amine
CID 105102750
1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylbutan-1-ol
CID 105116539
1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-2-propoxyethanamine
CID 105165261
1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylpropan-1-ol
CID 105133596
2-(2,6-dimethylphenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 105174518
1-(3-ethyl-1-methylpyrazol-5-yl)-N-propylprop-2-yn-1-amine
CID 105158441
1-(3-ethyl-1-methylpyrazol-5-yl)-5-methylhexan-1-amine
CID 105177018
1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-1-amine
CID 105083062
1-(1,5-dimethylpyrazol-4-yl)-2-ethyl-N-methylbutan-1-amine
CID 105168496
1-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 105142912

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-1-amine?
The IUPAC name of 2-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-1-amine (CID 105168439) is 2-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-1-amine.
What is the SMILES notation for 2-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-1-amine?
The canonical SMILES for 2-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-1-amine is CCc1cc(C(NC)C(CC)CC)n(C)n1.
What is the InChIKey of 2-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-1-amine?
The InChIKey is MRQFXHCMQNDUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-6-10(7-2)13(14-4)12-9-11(8-3)15-16(12)5/h9-10,13-14H,6-8H2,1-5H3.
What are the key properties of 2-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-1-amine?
2-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-1-amine is sourced from PubChem (CID 105168439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).