2-ethyl-2-[(2-ethylpyrazol-3-yl)methylamino]butan-1-ol

C12H23N3O — CID 115762417

IUPAC2-ethyl-2-[(2-ethylpyrazol-3-yl)methylamino]butan-1-ol
SMILESCCn1nccc1CNC(CC)(CC)CO
InChIInChI=1S/C12H23N3O/c1-4-12(5-2,10-16)13-9-11-7-8-14-15(11)6-3/h7-8,13,16H,4-6,9-10H2,1-3H3
InChIKeyAJYVTCFVRPDCRZ-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.54
Rot. Bonds7

About 2-ethyl-2-[(2-ethylpyrazol-3-yl)methylamino]butan-1-ol

2-ethyl-2-[(2-ethylpyrazol-3-yl)methylamino]butan-1-ol (PubChem CID 115762417) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-ethyl-2-[(2-ethylpyrazol-3-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[(2-ethylpyrazol-3-yl)methylamino]butan-1-ol
PubChem CID115762417
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-ethyl-2-[(2-ethylpyrazol-3-yl)methylamino]butan-1-ol
SMILESCCn1nccc1CNC(CC)(CC)CO
InChIInChI=1S/C12H23N3O/c1-4-12(5-2,10-16)13-9-11-7-8-14-15(11)6-3/h7-8,13,16H,4-6,9-10H2,1-3H3
InChIKeyAJYVTCFVRPDCRZ-UHFFFAOYSA-N
XLogP1.54
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethylpyrazol-3-yl)methyl]-2-methylbutan-2-amine
CID 75525238
2-[(2-ethylpyrazol-3-yl)methylamino]propane-1,3-diol
CID 115762526
methyl 2-[(2-ethylpyrazol-3-yl)methylamino]-2-methylpropanoate
CID 115924194
1-cyclopropyl-N-[(2-ethylpyrazol-3-yl)methyl]methanamine
CID 115761680
2-ethyl-2-[(1-methylpyrrol-2-yl)methylamino]butan-1-ol
CID 62517107
1-(2-ethylpyrazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 19625523
2-[2-[(2-ethylpyrazol-3-yl)methylamino]ethoxy]ethanol
CID 75525234
2-ethyl-2-(pyrimidin-2-ylmethylamino)butan-1-ol
CID 62699368
(2R)-N-[(2-ethylpyrazol-3-yl)methyl]-3-methylbutan-2-amine
CID 97358257
N-[(2-ethylpyrazol-3-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 103845069
3-methyl-3-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol
CID 106172739
[3-[[(2-ethylpyrazol-3-yl)methylamino]methyl]phenyl]methanol
CID 113334884

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(2-ethylpyrazol-3-yl)methylamino]butan-1-ol?
The IUPAC name of 2-ethyl-2-[(2-ethylpyrazol-3-yl)methylamino]butan-1-ol (CID 115762417) is 2-ethyl-2-[(2-ethylpyrazol-3-yl)methylamino]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[(2-ethylpyrazol-3-yl)methylamino]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[(2-ethylpyrazol-3-yl)methylamino]butan-1-ol is CCn1nccc1CNC(CC)(CC)CO.
What is the InChIKey of 2-ethyl-2-[(2-ethylpyrazol-3-yl)methylamino]butan-1-ol?
The InChIKey is AJYVTCFVRPDCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-4-12(5-2,10-16)13-9-11-7-8-14-15(11)6-3/h7-8,13,16H,4-6,9-10H2,1-3H3.
What are the key properties of 2-ethyl-2-[(2-ethylpyrazol-3-yl)methylamino]butan-1-ol?
2-ethyl-2-[(2-ethylpyrazol-3-yl)methylamino]butan-1-ol has a molecular weight of 225.34 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(2-ethylpyrazol-3-yl)methylamino]butan-1-ol is sourced from PubChem (CID 115762417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).