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

C12H23N3O — CID 64809875

IUPAC2-(ethylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol
SMILESCCNC(CO)CCn1nc(C)c(C)c1C
InChIInChI=1S/C12H23N3O/c1-5-13-12(8-16)6-7-15-11(4)9(2)10(3)14-15/h12-13,16H,5-8H2,1-4H3
InChIKeyWWPGEPFEMXDNPY-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.17
Rot. Bonds6

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

2-(ethylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol (PubChem CID 64809875) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-(ethylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol
PubChem CID64809875
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-(ethylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol
SMILESCCNC(CO)CCn1nc(C)c(C)c1C
InChIInChI=1S/C12H23N3O/c1-5-13-12(8-16)6-7-15-11(4)9(2)10(3)14-15/h12-13,16H,5-8H2,1-4H3
InChIKeyWWPGEPFEMXDNPY-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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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol?
The IUPAC name of 2-(ethylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol (CID 64809875) is 2-(ethylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol.
What is the SMILES notation for 2-(ethylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol?
The canonical SMILES for 2-(ethylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol is CCNC(CO)CCn1nc(C)c(C)c1C.
What is the InChIKey of 2-(ethylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol?
The InChIKey is WWPGEPFEMXDNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-5-13-12(8-16)6-7-15-11(4)9(2)10(3)14-15/h12-13,16H,5-8H2,1-4H3.
What are the key properties of 2-(ethylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol?
2-(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 2-(ethylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol is sourced from PubChem (CID 64809875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).