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

C15H27N3 — CID 104999070

IUPAC3-cyclopropyl-N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)butan-2-amine
SMILESCCNC(Cc1cc(CC)nn1C)C(C)C1CC1
InChIInChI=1S/C15H27N3/c1-5-13-9-14(18(4)17-13)10-15(16-6-2)11(3)12-7-8-12/h9,11-12,15-16H,5-8,10H2,1-4H3
InChIKeyBEAOSOJNVYKNGC-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.55
Rot. Bonds7

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

3-cyclopropyl-N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)butan-2-amine (PubChem CID 104999070) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 3-cyclopropyl-N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)butan-2-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)butan-2-amine
PubChem CID104999070
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name3-cyclopropyl-N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)butan-2-amine
SMILESCCNC(Cc1cc(CC)nn1C)C(C)C1CC1
InChIInChI=1S/C15H27N3/c1-5-13-9-14(18(4)17-13)10-15(16-6-2)11(3)12-7-8-12/h9,11-12,15-16H,5-8,10H2,1-4H3
InChIKeyBEAOSOJNVYKNGC-UHFFFAOYSA-N
XLogP2.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-ethyl-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methoxypropan-2-amine
CID 116722404
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-4,4-dimethylpentan-2-amine
CID 116724637
1-(7-bicyclo[4.1.0]heptanyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 104999024
N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)-1-(thian-2-yl)ethanamine
CID 80627164
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 115813447
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)hexan-2-amine
CID 79405999
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-4-(oxan-2-yl)butan-2-amine
CID 104998968
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-cyclopropyl-N-ethylbutan-2-amine
CID 105000305
3-ethoxy-N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-2-amine
CID 116726711
1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-1-ethoxy-N-ethylpropan-2-amine
CID 116723583
N-[1-(6-bicyclo[3.1.0]hexanyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethyl]propan-1-amine
CID 104999026
1-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ylhydrazine
CID 105201388

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)butan-2-amine?
The IUPAC name of 3-cyclopropyl-N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)butan-2-amine (CID 104999070) is 3-cyclopropyl-N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)butan-2-amine.
What is the SMILES notation for 3-cyclopropyl-N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)butan-2-amine?
The canonical SMILES for 3-cyclopropyl-N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)butan-2-amine is CCNC(Cc1cc(CC)nn1C)C(C)C1CC1.
What is the InChIKey of 3-cyclopropyl-N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)butan-2-amine?
The InChIKey is BEAOSOJNVYKNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-13-9-14(18(4)17-13)10-15(16-6-2)11(3)12-7-8-12/h9,11-12,15-16H,5-8,10H2,1-4H3.
What are the key properties of 3-cyclopropyl-N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)butan-2-amine?
3-cyclopropyl-N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)butan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)butan-2-amine is sourced from PubChem (CID 104999070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).