N-ethyl-1-(1-methylpyrazol-4-yl)-3-propan-2-yloxypropan-2-amine

C12H23N3O — CID 105114200

IUPACN-ethyl-1-(1-methylpyrazol-4-yl)-3-propan-2-yloxypropan-2-amine
SMILESCCNC(COC(C)C)Cc1cnn(C)c1
InChIInChI=1S/C12H23N3O/c1-5-13-12(9-16-10(2)3)6-11-7-14-15(4)8-11/h7-8,10,12-13H,5-6,9H2,1-4H3
InChIKeyXHEVWXQRVVOFRL-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.37
Rot. Bonds7

About N-ethyl-1-(1-methylpyrazol-4-yl)-3-propan-2-yloxypropan-2-amine

N-ethyl-1-(1-methylpyrazol-4-yl)-3-propan-2-yloxypropan-2-amine (PubChem CID 105114200) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-ethyl-1-(1-methylpyrazol-4-yl)-3-propan-2-yloxypropan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-methylpyrazol-4-yl)-3-propan-2-yloxypropan-2-amine
PubChem CID105114200
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-ethyl-1-(1-methylpyrazol-4-yl)-3-propan-2-yloxypropan-2-amine
SMILESCCNC(COC(C)C)Cc1cnn(C)c1
InChIInChI=1S/C12H23N3O/c1-5-13-12(9-16-10(2)3)6-11-7-14-15(4)8-11/h7-8,10,12-13H,5-6,9H2,1-4H3
InChIKeyXHEVWXQRVVOFRL-UHFFFAOYSA-N
XLogP1.37
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 62125771
N-ethyl-1-(1-methylpyrazol-4-yl)-3-thiophen-3-ylpropan-2-amine
CID 105113824
N-ethyl-1-(1-methylpyrazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62799171
N-ethyl-1-(furan-3-yl)-3-propan-2-yloxypropan-2-amine
CID 105177781
N-ethyl-1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 62126115
N-ethyl-1-(4-iodophenyl)-3-propan-2-yloxypropan-2-amine
CID 105152021
N-ethyl-3-methyl-1-(1-methylpyrazol-4-yl)hexan-2-amine
CID 115821878
N-ethyl-1-(4-methylphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 66065206
N-ethyl-1-(1-methylpyrazol-4-yl)-3-(oxolan-3-yl)propan-2-amine
CID 113362176
1-(2,4-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 64559283
N-ethyl-4-(2-methylphenyl)-1-(1-methylpyrazol-4-yl)butan-2-amine
CID 105114186
1-cyclopropyl-N-ethyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103011602

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-methylpyrazol-4-yl)-3-propan-2-yloxypropan-2-amine?
The IUPAC name of N-ethyl-1-(1-methylpyrazol-4-yl)-3-propan-2-yloxypropan-2-amine (CID 105114200) is N-ethyl-1-(1-methylpyrazol-4-yl)-3-propan-2-yloxypropan-2-amine.
What is the SMILES notation for N-ethyl-1-(1-methylpyrazol-4-yl)-3-propan-2-yloxypropan-2-amine?
The canonical SMILES for N-ethyl-1-(1-methylpyrazol-4-yl)-3-propan-2-yloxypropan-2-amine is CCNC(COC(C)C)Cc1cnn(C)c1.
What is the InChIKey of N-ethyl-1-(1-methylpyrazol-4-yl)-3-propan-2-yloxypropan-2-amine?
The InChIKey is XHEVWXQRVVOFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-5-13-12(9-16-10(2)3)6-11-7-14-15(4)8-11/h7-8,10,12-13H,5-6,9H2,1-4H3.
What are the key properties of N-ethyl-1-(1-methylpyrazol-4-yl)-3-propan-2-yloxypropan-2-amine?
N-ethyl-1-(1-methylpyrazol-4-yl)-3-propan-2-yloxypropan-2-amine has a molecular weight of 225.34 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-methylpyrazol-4-yl)-3-propan-2-yloxypropan-2-amine is sourced from PubChem (CID 105114200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).