N-[(1-ethylpyrazol-4-yl)-(oxolan-3-yl)methyl]propan-1-amine

C13H23N3O — CID 65330533

IUPACN-[(1-ethylpyrazol-4-yl)-(oxolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnn(CC)c1)C1CCOC1
InChIInChI=1S/C13H23N3O/c1-3-6-14-13(11-5-7-17-10-11)12-8-15-16(4-2)9-12/h8-9,11,13-14H,3-7,10H2,1-2H3
InChIKeyIRNPSVPSUVEING-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.98
Rot. Bonds6

About N-[(1-ethylpyrazol-4-yl)-(oxolan-3-yl)methyl]propan-1-amine

N-[(1-ethylpyrazol-4-yl)-(oxolan-3-yl)methyl]propan-1-amine (PubChem CID 65330533) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)-(oxolan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)-(oxolan-3-yl)methyl]propan-1-amine
PubChem CID65330533
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-[(1-ethylpyrazol-4-yl)-(oxolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnn(CC)c1)C1CCOC1
InChIInChI=1S/C13H23N3O/c1-3-6-14-13(11-5-7-17-10-11)12-8-15-16(4-2)9-12/h8-9,11,13-14H,3-7,10H2,1-2H3
InChIKeyIRNPSVPSUVEING-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-[oxolan-3-yl(pyridin-3-yl)methyl]propan-1-amine
CID 63565500
N-[(2-ethylpyrazol-3-yl)-(oxolan-3-yl)methyl]propan-1-amine
CID 65330423
N-[(1-ethylpyrazol-4-yl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79093371
N-[(2-ethyl-5-methylpyrazol-3-yl)-(oxolan-3-yl)methyl]propan-1-amine
CID 105147499
N-[oxolan-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
CID 105147610
N-[(1-methylpyrazol-4-yl)-(oxan-3-yl)methyl]ethanamine
CID 65332421
N-[oxolan-3-yl-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 65329600
N-[oxolan-3-yl(quinolin-3-yl)methyl]propan-1-amine
CID 65330638
oxolan-3-yl-(1-propylpyrazol-4-yl)methanol
CID 63893224
(1-ethylpyrazol-4-yl)-(oxan-3-yl)methanamine
CID 65332290
5-[oxolan-3-yl(propylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 61276462
N-[oxan-4-yl(pyridazin-4-yl)methyl]propan-1-amine
CID 105147199

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)-(oxolan-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)-(oxolan-3-yl)methyl]propan-1-amine (CID 65330533) is N-[(1-ethylpyrazol-4-yl)-(oxolan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)-(oxolan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)-(oxolan-3-yl)methyl]propan-1-amine is CCCNC(c1cnn(CC)c1)C1CCOC1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)-(oxolan-3-yl)methyl]propan-1-amine?
The InChIKey is IRNPSVPSUVEING-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-6-14-13(11-5-7-17-10-11)12-8-15-16(4-2)9-12/h8-9,11,13-14H,3-7,10H2,1-2H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)-(oxolan-3-yl)methyl]propan-1-amine?
N-[(1-ethylpyrazol-4-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-[(1-ethylpyrazol-4-yl)-(oxolan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 65330533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).