N-ethyl-1-(2-ethylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine

C13H23N3O — CID 63975733

IUPACN-ethyl-1-(2-ethylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine
SMILESCCNC(CC1CCCO1)c1ccnn1CC
InChIInChI=1S/C13H23N3O/c1-3-14-12(10-11-6-5-9-17-11)13-7-8-15-16(13)4-2/h7-8,11-12,14H,3-6,9-10H2,1-2H3
InChIKeyFBJMPNAQSGFYGT-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.12
Rot. Bonds6

About N-ethyl-1-(2-ethylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine

N-ethyl-1-(2-ethylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine (PubChem CID 63975733) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-ethyl-1-(2-ethylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(2-ethylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine
PubChem CID63975733
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-ethyl-1-(2-ethylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine
SMILESCCNC(CC1CCCO1)c1ccnn1CC
InChIInChI=1S/C13H23N3O/c1-3-14-12(10-11-6-5-9-17-11)13-7-8-15-16(13)4-2/h7-8,11-12,14H,3-6,9-10H2,1-2H3
InChIKeyFBJMPNAQSGFYGT-UHFFFAOYSA-N
XLogP2.12
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cycloheptyl-N-ethyl-1-(2-ethylpyrazol-3-yl)ethanamine
CID 115858127
N-[2-(oxolan-2-yl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine
CID 63975942
N-ethyl-1-(2-ethylpyrazol-3-yl)-2-(thian-4-yl)ethanamine
CID 105148508
N-ethyl-1-(2-ethylpyrazol-3-yl)pentan-1-amine
CID 79404699
1-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 114647464
N-ethyl-1-(5-methylfuran-2-yl)-2-(oxolan-2-yl)ethanamine
CID 65156443
1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 114647467
N-ethyl-1-(2-ethylpyrazol-3-yl)-3-propoxypropan-1-amine
CID 105148325
1-(4-tert-butylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 62550488
N-ethyl-1-(2-ethylpyrazol-3-yl)-3-pyridin-4-ylpropan-1-amine
CID 105148426
N-ethyl-1-(5-ethylfuran-2-yl)-2-(oxolan-2-yl)ethanamine
CID 65156100
1-(3,4-dimethylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 62550458

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-ethylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine?
The IUPAC name of N-ethyl-1-(2-ethylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine (CID 63975733) is N-ethyl-1-(2-ethylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(2-ethylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(2-ethylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine is CCNC(CC1CCCO1)c1ccnn1CC.
What is the InChIKey of N-ethyl-1-(2-ethylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine?
The InChIKey is FBJMPNAQSGFYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-14-12(10-11-6-5-9-17-11)13-7-8-15-16(13)4-2/h7-8,11-12,14H,3-6,9-10H2,1-2H3.
What are the key properties of N-ethyl-1-(2-ethylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine?
N-ethyl-1-(2-ethylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine has a molecular weight of 237.35 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-ethylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 63975733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).