2-cyclopropyl-2-(ethylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-ol

C14H25N3O — CID 64811763

IUPAC2-cyclopropyl-2-(ethylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-ol
SMILESCCNC(CO)(Cn1nc(C)c(C)c1C)C1CC1
InChIInChI=1S/C14H25N3O/c1-5-15-14(9-18,13-6-7-13)8-17-12(4)10(2)11(3)16-17/h13,15,18H,5-9H2,1-4H3
InChIKeyWDJIJAXGZBKFFW-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.56
Rot. Bonds6

About 2-cyclopropyl-2-(ethylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-ol

2-cyclopropyl-2-(ethylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-ol (PubChem CID 64811763) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-cyclopropyl-2-(ethylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-(ethylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-ol
PubChem CID64811763
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-cyclopropyl-2-(ethylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-ol
SMILESCCNC(CO)(Cn1nc(C)c(C)c1C)C1CC1
InChIInChI=1S/C14H25N3O/c1-5-15-14(9-18,13-6-7-13)8-17-12(4)10(2)11(3)16-17/h13,15,18H,5-9H2,1-4H3
InChIKeyWDJIJAXGZBKFFW-UHFFFAOYSA-N
XLogP1.56
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[[1-(2-Hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]cyclohexan-1-ol
CID 56823434
1-[1-(1,3,5-Trimethylpyrazol-4-yl)propylamino]butan-2-ol
CID 91660440
2,3-Dicyclopropyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-1-ol
CID 126818426
2-[3,5-Dimethyl-4-[(3,3,3-trifluoropropylamino)methyl]pyrazol-1-yl]ethanol
CID 111469741
2-[4-[(3-Fluoropropylamino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 112333976
(2S,3S)-1,1,1-trifluoro-4-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentan-2-ol
CID 126814062
Pyrrolidin-3-ol;1,3,4,5-tetramethylpyrazole
CID 144336015
2-[2-(3,5-Dimethyl-4-propan-2-ylpyrazol-1-yl)ethoxy]ethanamine
CID 168139759
(3S,4S)-4-(3,4,5-trimethylpyrazol-1-yl)piperidin-3-ol
CID 170445508
(3S,4S)-4-(3,4,5-trimethylpyrazol-1-yl)pyrrolidin-3-ol
CID 170618087
2-[4,5-Dimethyl-3-(methylaminomethyl)pyrazol-1-yl]ethanol;ethane
CID 170618129
3-(3,5-Dimethyl-4-propan-2-ylpyrazol-1-yl)propan-1-ol
CID 171534101

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-ol?
The IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-ol (CID 64811763) is 2-cyclopropyl-2-(ethylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-(ethylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-(ethylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-ol is CCNC(CO)(Cn1nc(C)c(C)c1C)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(ethylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-ol?
The InChIKey is WDJIJAXGZBKFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-5-15-14(9-18,13-6-7-13)8-17-12(4)10(2)11(3)16-17/h13,15,18H,5-9H2,1-4H3.
What are the key properties of 2-cyclopropyl-2-(ethylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-ol?
2-cyclopropyl-2-(ethylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(ethylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-ol is sourced from PubChem (CID 64811763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).