2-ethyl-1-(2-ethylpyrazol-3-yl)-N-methyl-2-pyrrolidin-1-ylbutan-1-amine

C16H30N4 — CID 79068153

IUPAC2-ethyl-1-(2-ethylpyrazol-3-yl)-N-methyl-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCn1nccc1C(NC)C(CC)(CC)N1CCCC1
InChIInChI=1S/C16H30N4/c1-5-16(6-2,19-12-8-9-13-19)15(17-4)14-10-11-18-20(14)7-3/h10-11,15,17H,5-9,12-13H2,1-4H3
InChIKeyUJXWQORHCVMKID-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.82
Rot. Bonds7

About 2-ethyl-1-(2-ethylpyrazol-3-yl)-N-methyl-2-pyrrolidin-1-ylbutan-1-amine

2-ethyl-1-(2-ethylpyrazol-3-yl)-N-methyl-2-pyrrolidin-1-ylbutan-1-amine (PubChem CID 79068153) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-ethyl-1-(2-ethylpyrazol-3-yl)-N-methyl-2-pyrrolidin-1-ylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-1-(2-ethylpyrazol-3-yl)-N-methyl-2-pyrrolidin-1-ylbutan-1-amine
PubChem CID79068153
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name2-ethyl-1-(2-ethylpyrazol-3-yl)-N-methyl-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCn1nccc1C(NC)C(CC)(CC)N1CCCC1
InChIInChI=1S/C16H30N4/c1-5-16(6-2,19-12-8-9-13-19)15(17-4)14-10-11-18-20(14)7-3/h10-11,15,17H,5-9,12-13H2,1-4H3
InChIKeyUJXWQORHCVMKID-UHFFFAOYSA-N
XLogP2.82
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-1-(2-ethylpyrazol-3-yl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 79061729
2-ethyl-1-(1-ethylimidazol-2-yl)-N-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79067835
2-ethyl-1-(2-methylpyrazol-3-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79057663
2-ethyl-1-(2-methylpyrazol-3-yl)-2-pyrrolidin-1-ylbutan-1-ol
CID 79067188
N-ethyl-1-(2-ethylpyrazol-3-yl)-2,2-dimethylbutan-1-amine
CID 115858037
[1-(2-ethylpyrazol-3-yl)-2,2-dimethylpropyl]hydrazine
CID 105203081
1-(3,5-difluorophenyl)-2-ethyl-N-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79057362
1-cyclopentyl-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
CID 63976376
1-N-ethyl-1-(2-ethylpyrazol-3-yl)-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 79064340
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-N-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 102647727
2-cyclopropyl-1-(2-ethylpyrazol-3-yl)-N-methylpropan-1-amine
CID 115858181
1-(2-ethylpyrazol-3-yl)-N-methyl-2-phenylbutan-1-amine
CID 115858001

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-ethylpyrazol-3-yl)-N-methyl-2-pyrrolidin-1-ylbutan-1-amine?
The IUPAC name of 2-ethyl-1-(2-ethylpyrazol-3-yl)-N-methyl-2-pyrrolidin-1-ylbutan-1-amine (CID 79068153) is 2-ethyl-1-(2-ethylpyrazol-3-yl)-N-methyl-2-pyrrolidin-1-ylbutan-1-amine.
What is the SMILES notation for 2-ethyl-1-(2-ethylpyrazol-3-yl)-N-methyl-2-pyrrolidin-1-ylbutan-1-amine?
The canonical SMILES for 2-ethyl-1-(2-ethylpyrazol-3-yl)-N-methyl-2-pyrrolidin-1-ylbutan-1-amine is CCn1nccc1C(NC)C(CC)(CC)N1CCCC1.
What is the InChIKey of 2-ethyl-1-(2-ethylpyrazol-3-yl)-N-methyl-2-pyrrolidin-1-ylbutan-1-amine?
The InChIKey is UJXWQORHCVMKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-5-16(6-2,19-12-8-9-13-19)15(17-4)14-10-11-18-20(14)7-3/h10-11,15,17H,5-9,12-13H2,1-4H3.
What are the key properties of 2-ethyl-1-(2-ethylpyrazol-3-yl)-N-methyl-2-pyrrolidin-1-ylbutan-1-amine?
2-ethyl-1-(2-ethylpyrazol-3-yl)-N-methyl-2-pyrrolidin-1-ylbutan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-ethylpyrazol-3-yl)-N-methyl-2-pyrrolidin-1-ylbutan-1-amine is sourced from PubChem (CID 79068153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).