2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine

C15H27N3O — CID 62566084

IUPAC2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCCc1c(C)nn(C(C)CNCC2CCCO2)c1C
InChIInChI=1S/C15H27N3O/c1-5-15-12(3)17-18(13(15)4)11(2)9-16-10-14-7-6-8-19-14/h11,14,16H,5-10H2,1-4H3
InChIKeyXLOJEWCVUTYQDU-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.39
Rot. Bonds6

About 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine

2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine (PubChem CID 62566084) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
PubChem CID62566084
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCCc1c(C)nn(C(C)CNCC2CCCO2)c1C
InChIInChI=1S/C15H27N3O/c1-5-15-12(3)17-18(13(15)4)11(2)9-16-10-14-7-6-8-19-14/h11,14,16H,5-10H2,1-4H3
InChIKeyXLOJEWCVUTYQDU-UHFFFAOYSA-N
XLogP2.39
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)propyl]-3-methylbutan-1-amine
CID 62566635
1-(oxolan-2-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 43180702
2-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 55088990
2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 62557461
2-(8-azaspiro[4.5]decan-8-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 63163669
2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 63106546
N-(oxolan-2-ylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 63104701
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 48650609
2-(4-cyclopropylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 55087769
(2R)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]pentan-1-amine
CID 28619216
2-N-ethyl-1-N,2-N-bis(oxolan-2-ylmethyl)propane-1,2-diamine
CID 62568854
4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 44762278

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine (CID 62566084) is 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine is CCc1c(C)nn(C(C)CNCC2CCCO2)c1C.
What is the InChIKey of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine?
The InChIKey is XLOJEWCVUTYQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-15-12(3)17-18(13(15)4)11(2)9-16-10-14-7-6-8-19-14/h11,14,16H,5-10H2,1-4H3.
What are the key properties of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine?
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 62566084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).