2-Propanol, 3-(tert-butylamino)-1-(6-(1-(1H-pyrazol-1-yl)vinyl)phenoxy)-

C18H25N3O2 — CID 3069766

IUPAC1-(tert-butylamino)-3-[2-(1-pyrazol-1-ylethenyl)phenoxy]propan-2-ol
SMILESCC(C)(C)NCC(COC1=CC=CC=C1C(=C)N2C=CC=N2)O
InChIInChI=1S/C18H25N3O2/c1-14(21-11-7-10-20-21)16-8-5-6-9-17(16)23-13-15(22)12-19-18(2,3)4/h5-11,15,19,22H,1,12-13H2,2-4H3
InChIKeyJXPMOHORRCTRTH-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.40
Rot. Bonds8

About 2-Propanol, 3-(tert-butylamino)-1-(6-(1-(1H-pyrazol-1-yl)vinyl)phenoxy)-

2-Propanol, 3-(tert-butylamino)-1-(6-(1-(1H-pyrazol-1-yl)vinyl)phenoxy)- (PubChem CID 3069766) has the molecular formula C18H25N3O2 and a molecular weight of 315.40 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-[2-(1-pyrazol-1-ylethenyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name2-Propanol, 3-(tert-butylamino)-1-(6-(1-(1H-pyrazol-1-yl)vinyl)phenoxy)-
PubChem CID3069766
Molecular FormulaC18H25N3O2
Molecular Weight315.40 g/mol
Exact Mass315.19
IUPAC Name1-(tert-butylamino)-3-[2-(1-pyrazol-1-ylethenyl)phenoxy]propan-2-ol
SMILESCC(C)(C)NCC(COC1=CC=CC=C1C(=C)N2C=CC=N2)O
InChIInChI=1S/C18H25N3O2/c1-14(21-11-7-10-20-21)16-8-5-6-9-17(16)23-13-15(22)12-19-18(2,3)4/h5-11,15,19,22H,1,12-13H2,2-4H3
InChIKeyJXPMOHORRCTRTH-UHFFFAOYSA-N
XLogP2.40
TPSA59.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity381

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-Propanol, 3-(tert-butylamino)-1-(6-(1-(1H-pyrazol-1-yl)vinyl)phenoxy)-?
The IUPAC name of 2-Propanol, 3-(tert-butylamino)-1-(6-(1-(1H-pyrazol-1-yl)vinyl)phenoxy)- (CID 3069766) is 1-(tert-butylamino)-3-[2-(1-pyrazol-1-ylethenyl)phenoxy]propan-2-ol.
What is the SMILES notation for 2-Propanol, 3-(tert-butylamino)-1-(6-(1-(1H-pyrazol-1-yl)vinyl)phenoxy)-?
The canonical SMILES for 2-Propanol, 3-(tert-butylamino)-1-(6-(1-(1H-pyrazol-1-yl)vinyl)phenoxy)- is CC(C)(C)NCC(COC1=CC=CC=C1C(=C)N2C=CC=N2)O.
What is the InChIKey of 2-Propanol, 3-(tert-butylamino)-1-(6-(1-(1H-pyrazol-1-yl)vinyl)phenoxy)-?
The InChIKey is JXPMOHORRCTRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-14(21-11-7-10-20-21)16-8-5-6-9-17(16)23-13-15(22)12-19-18(2,3)4/h5-11,15,19,22H,1,12-13H2,2-4H3.
What are the key properties of 2-Propanol, 3-(tert-butylamino)-1-(6-(1-(1H-pyrazol-1-yl)vinyl)phenoxy)-?
2-Propanol, 3-(tert-butylamino)-1-(6-(1-(1H-pyrazol-1-yl)vinyl)phenoxy)- has a molecular weight of 315.40 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Propanol, 3-(tert-butylamino)-1-(6-(1-(1H-pyrazol-1-yl)vinyl)phenoxy)- is sourced from PubChem (CID 3069766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).