N-[oxolan-3-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine

C14H25N3O — CID 105147577

IUPACN-[oxolan-3-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1c(C)nn(C)c1C)C1CCOC1
InChIInChI=1S/C14H25N3O/c1-5-7-15-14(12-6-8-18-9-12)13-10(2)16-17(4)11(13)3/h12,14-15H,5-9H2,1-4H3
InChIKeyHLCWBVXOPGSRAA-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.11
Rot. Bonds5

About N-[oxolan-3-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine

N-[oxolan-3-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine (PubChem CID 105147577) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[oxolan-3-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[oxolan-3-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
PubChem CID105147577
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-[oxolan-3-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1c(C)nn(C)c1C)C1CCOC1
InChIInChI=1S/C14H25N3O/c1-5-7-15-14(12-6-8-18-9-12)13-10(2)16-17(4)11(13)3/h12,14-15H,5-9H2,1-4H3
InChIKeyHLCWBVXOPGSRAA-UHFFFAOYSA-N
XLogP2.11
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[cyclopropyl-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 105157191
[oxan-4-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105306209
N-[(2-ethyl-5-methylpyrazol-3-yl)-(oxolan-3-yl)methyl]propan-1-amine
CID 105147499
N-[(2,6-difluoro-3-methylphenyl)-(oxolan-3-yl)methyl]propan-1-amine
CID 82822964
1-(oxan-4-yl)-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105147287
N-[oxolan-3-yl-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 65329600
N-[(1-ethylpyrazol-4-yl)-(oxolan-3-yl)methyl]propan-1-amine
CID 65330533
N-[(2-ethylpyrazol-3-yl)-(oxolan-3-yl)methyl]propan-1-amine
CID 65330423
[1-(oxolan-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105306650
N-[(1-methylimidazol-4-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 107978055
N-[oxolan-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
CID 105147610
N-[cycloocten-1-yl(oxolan-3-yl)methyl]propan-1-amine
CID 106653224

Frequently Asked Questions

What is the IUPAC name of N-[oxolan-3-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[oxolan-3-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine (CID 105147577) is N-[oxolan-3-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[oxolan-3-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[oxolan-3-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine is CCCNC(c1c(C)nn(C)c1C)C1CCOC1.
What is the InChIKey of N-[oxolan-3-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is HLCWBVXOPGSRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-5-7-15-14(12-6-8-18-9-12)13-10(2)16-17(4)11(13)3/h12,14-15H,5-9H2,1-4H3.
What are the key properties of N-[oxolan-3-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine?
N-[oxolan-3-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[oxolan-3-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 105147577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).