3-(ethylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol

C12H23N3O — CID 64897360

IUPAC3-(ethylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol
SMILESCCNC(CCO)Cn1nc(C)c(C)c1C
InChIInChI=1S/C12H23N3O/c1-5-13-12(6-7-16)8-15-11(4)9(2)10(3)14-15/h12-13,16H,5-8H2,1-4H3
InChIKeyZUNRAHIALRKVAR-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.17
Rot. Bonds6

About 3-(ethylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol

3-(ethylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol (PubChem CID 64897360) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-(ethylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol.

Molecular Properties

Compound Name3-(ethylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol
PubChem CID64897360
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name3-(ethylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol
SMILESCCNC(CCO)Cn1nc(C)c(C)c1C
InChIInChI=1S/C12H23N3O/c1-5-13-12(6-7-16)8-15-11(4)9(2)10(3)14-15/h12-13,16H,5-8H2,1-4H3
InChIKeyZUNRAHIALRKVAR-UHFFFAOYSA-N
XLogP1.17
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(trimethyl-1H-pyrazol-4-yl)ethan-1-ol
CID 23005918
Sbb010340
CID 6492580
2-amino-1-(trimethyl-1H-pyrazol-4-yl)ethan-1-ol
CID 16767727
2-(3,4,5-Trimethylpyrazol-1-yl)propan-1-amine
CID 6492579
N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 23005746
(2-methoxyethyl)[(trimethyl-1H-pyrazol-4-yl)methyl]amine
CID 42281907
2-amino-2-(trimethyl-1H-pyrazol-4-yl)ethan-1-ol
CID 43810991
(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methanol
CID 7172183
N-tert-butyl-2-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]acetamide
CID 47613485
N-[2-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]ethyl]methanesulfonamide
CID 49463518
4-[[(1-Ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]oxan-4-ol
CID 72022736
1-[1-(1,3,5-Trimethylpyrazol-4-yl)propylamino]butan-2-ol
CID 91660440

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol?
The IUPAC name of 3-(ethylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol (CID 64897360) is 3-(ethylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol.
What is the SMILES notation for 3-(ethylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol?
The canonical SMILES for 3-(ethylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol is CCNC(CCO)Cn1nc(C)c(C)c1C.
What is the InChIKey of 3-(ethylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol?
The InChIKey is ZUNRAHIALRKVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-5-13-12(6-7-16)8-15-11(4)9(2)10(3)14-15/h12-13,16H,5-8H2,1-4H3.
What are the key properties of 3-(ethylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol?
3-(ethylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol has a molecular weight of 225.34 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol is sourced from PubChem (CID 64897360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).