1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine

C15H27N3O2 — CID 104705779

IUPAC1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine
SMILESCCn1nc(C)c(C(C)NCC2(OC)CCOC2)c1C
InChIInChI=1S/C15H27N3O2/c1-6-18-13(4)14(12(3)17-18)11(2)16-9-15(19-5)7-8-20-10-15/h11,16H,6-10H2,1-5H3
InChIKeyKSGULZZTQJQZBW-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.98
Rot. Bonds6

About 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine

1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine (PubChem CID 104705779) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine
PubChem CID104705779
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine
SMILESCCn1nc(C)c(C(C)NCC2(OC)CCOC2)c1C
InChIInChI=1S/C15H27N3O2/c1-6-18-13(4)14(12(3)17-18)11(2)16-9-15(19-5)7-8-20-10-15/h11,16H,6-10H2,1-5H3
InChIKeyKSGULZZTQJQZBW-UHFFFAOYSA-N
XLogP1.98
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methoxyethyl)[(trimethyl-1H-pyrazol-4-yl)methyl]amine
CID 42281907
3-(trimethyl-1H-pyrazol-4-yl)morpholine
CID 71695346
4-[[(1-Ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]oxan-4-ol
CID 72022736
9-[(1-Ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane
CID 86791613
1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 124545921
4,4-Dimethyl-2-[3,5-dimethyl-1-(1-methylethyl)-1h-pyrazol-4-yl]-1,3-oxazolidine
CID 134612993
N-[[3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]methyl]ethanamine
CID 55110695
2-(2,2,2-trifluoroethoxy)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 60732803
1-[3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]-N-methylmethanamine
CID 61490781
N-[[3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]methyl]propan-1-amine
CID 61490823
N-[[3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]methyl]propan-2-amine
CID 61490824
N-[[3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]methyl]cyclopropanamine
CID 61490825

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine?
The IUPAC name of 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine (CID 104705779) is 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine?
The canonical SMILES for 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine is CCn1nc(C)c(C(C)NCC2(OC)CCOC2)c1C.
What is the InChIKey of 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine?
The InChIKey is KSGULZZTQJQZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-6-18-13(4)14(12(3)17-18)11(2)16-9-15(19-5)7-8-20-10-15/h11,16H,6-10H2,1-5H3.
What are the key properties of 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine?
1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine has a molecular weight of 281.40 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine is sourced from PubChem (CID 104705779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).