N-[(2-ethylpyrazol-3-yl)-(oxolan-3-yl)methyl]propan-1-amine

C13H23N3O — CID 65330423

IUPACN-[(2-ethylpyrazol-3-yl)-(oxolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccnn1CC)C1CCOC1
InChIInChI=1S/C13H23N3O/c1-3-7-14-13(11-6-9-17-10-11)12-5-8-15-16(12)4-2/h5,8,11,13-14H,3-4,6-7,9-10H2,1-2H3
InChIKeyBEFMXIDUUPNROK-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.98
Rot. Bonds6

About N-[(2-ethylpyrazol-3-yl)-(oxolan-3-yl)methyl]propan-1-amine

N-[(2-ethylpyrazol-3-yl)-(oxolan-3-yl)methyl]propan-1-amine (PubChem CID 65330423) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)-(oxolan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)-(oxolan-3-yl)methyl]propan-1-amine
PubChem CID65330423
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-[(2-ethylpyrazol-3-yl)-(oxolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccnn1CC)C1CCOC1
InChIInChI=1S/C13H23N3O/c1-3-7-14-13(11-6-9-17-10-11)12-5-8-15-16(12)4-2/h5,8,11,13-14H,3-4,6-7,9-10H2,1-2H3
InChIKeyBEFMXIDUUPNROK-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethylpyrazol-3-yl)-(oxan-4-yl)methyl]propan-1-amine
CID 65334450
N-[(2-ethyl-5-methylpyrazol-3-yl)-(oxolan-3-yl)methyl]propan-1-amine
CID 105147499
N-[(2-ethylpyrazol-3-yl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107188815
N-[(1-ethylpyrazol-4-yl)-(oxolan-3-yl)methyl]propan-1-amine
CID 65330533
N-[(2-ethyl-5-methylpyrazol-3-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 107139280
N-[(4-methylcyclohexyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 63974485
N-[oxolan-3-yl-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 65329600
N-[oxolan-3-yl(pyridin-3-yl)methyl]propan-1-amine
CID 63565500
N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-ethylpyrazol-3-yl)methyl]propan-1-amine
CID 64984270
N-[(2,3-dichlorophenyl)-(oxolan-3-yl)methyl]propan-1-amine
CID 65330313
N-[(2-methylpyrazol-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 105170255
1-(2-ethylpyrazol-3-yl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 103987048

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)-(oxolan-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)-(oxolan-3-yl)methyl]propan-1-amine (CID 65330423) is N-[(2-ethylpyrazol-3-yl)-(oxolan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)-(oxolan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)-(oxolan-3-yl)methyl]propan-1-amine is CCCNC(c1ccnn1CC)C1CCOC1.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)-(oxolan-3-yl)methyl]propan-1-amine?
The InChIKey is BEFMXIDUUPNROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-7-14-13(11-6-9-17-10-11)12-5-8-15-16(12)4-2/h5,8,11,13-14H,3-4,6-7,9-10H2,1-2H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)-(oxolan-3-yl)methyl]propan-1-amine?
N-[(2-ethylpyrazol-3-yl)-(oxolan-3-yl)methyl]propan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)-(oxolan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 65330423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).