N-[(2-ethyl-5-methylpyrazol-3-yl)-(oxolan-3-yl)methyl]propan-1-amine

C14H25N3O — CID 105147499

IUPACN-[(2-ethyl-5-methylpyrazol-3-yl)-(oxolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)nn1CC)C1CCOC1
InChIInChI=1S/C14H25N3O/c1-4-7-15-14(12-6-8-18-10-12)13-9-11(3)16-17(13)5-2/h9,12,14-15H,4-8,10H2,1-3H3
InChIKeyFNPMDEMSJXYRSA-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.29
Rot. Bonds6

About N-[(2-ethyl-5-methylpyrazol-3-yl)-(oxolan-3-yl)methyl]propan-1-amine

N-[(2-ethyl-5-methylpyrazol-3-yl)-(oxolan-3-yl)methyl]propan-1-amine (PubChem CID 105147499) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[(2-ethyl-5-methylpyrazol-3-yl)-(oxolan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-ethyl-5-methylpyrazol-3-yl)-(oxolan-3-yl)methyl]propan-1-amine
PubChem CID105147499
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-[(2-ethyl-5-methylpyrazol-3-yl)-(oxolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)nn1CC)C1CCOC1
InChIInChI=1S/C14H25N3O/c1-4-7-15-14(12-6-8-18-10-12)13-9-11(3)16-17(13)5-2/h9,12,14-15H,4-8,10H2,1-3H3
InChIKeyFNPMDEMSJXYRSA-UHFFFAOYSA-N
XLogP2.29
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethyl-5-methylpyrazol-3-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 107139280
N-[(2-ethylpyrazol-3-yl)-(oxolan-3-yl)methyl]propan-1-amine
CID 65330423
N-[(3-ethylcyclohexyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]propan-1-amine
CID 105156057
N-[(2-ethylpyrazol-3-yl)-(oxan-4-yl)methyl]propan-1-amine
CID 65334450
N-[cyclopropyl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine
CID 105157194
N-[oxolan-3-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 105147577
N-[(1-ethylpyrazol-4-yl)-(oxolan-3-yl)methyl]propan-1-amine
CID 65330533
N-[(2,5-dimethylpyrazol-3-yl)-(oxan-3-yl)methyl]ethanamine
CID 107138704
1-(2,5-dimethylpyrazol-3-yl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 105147665
N-[oxolan-3-yl-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 65329600
N-[cyclohexyl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine
CID 105079721
N-[oxolan-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
CID 105147610

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-5-methylpyrazol-3-yl)-(oxolan-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-ethyl-5-methylpyrazol-3-yl)-(oxolan-3-yl)methyl]propan-1-amine (CID 105147499) is N-[(2-ethyl-5-methylpyrazol-3-yl)-(oxolan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-ethyl-5-methylpyrazol-3-yl)-(oxolan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-ethyl-5-methylpyrazol-3-yl)-(oxolan-3-yl)methyl]propan-1-amine is CCCNC(c1cc(C)nn1CC)C1CCOC1.
What is the InChIKey of N-[(2-ethyl-5-methylpyrazol-3-yl)-(oxolan-3-yl)methyl]propan-1-amine?
The InChIKey is FNPMDEMSJXYRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-7-15-14(12-6-8-18-10-12)13-9-11(3)16-17(13)5-2/h9,12,14-15H,4-8,10H2,1-3H3.
What are the key properties of N-[(2-ethyl-5-methylpyrazol-3-yl)-(oxolan-3-yl)methyl]propan-1-amine?
N-[(2-ethyl-5-methylpyrazol-3-yl)-(oxolan-3-yl)methyl]propan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-5-methylpyrazol-3-yl)-(oxolan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 105147499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).