1-(tert-butylamino)-2-(1-ethylpyrazol-4-yl)propan-2-ol

C12H23N3O — CID 66038938

IUPAC1-(tert-butylamino)-2-(1-ethylpyrazol-4-yl)propan-2-ol
SMILESCCn1cc(C(C)(O)CNC(C)(C)C)cn1
InChIInChI=1S/C12H23N3O/c1-6-15-8-10(7-14-15)12(5,16)9-13-11(2,3)4/h7-8,13,16H,6,9H2,1-5H3
InChIKeyWZBZNWXDDMLWTD-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.50
Rot. Bonds4

About 1-(tert-butylamino)-2-(1-ethylpyrazol-4-yl)propan-2-ol

1-(tert-butylamino)-2-(1-ethylpyrazol-4-yl)propan-2-ol (PubChem CID 66038938) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-(tert-butylamino)-2-(1-ethylpyrazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-2-(1-ethylpyrazol-4-yl)propan-2-ol
PubChem CID66038938
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-(tert-butylamino)-2-(1-ethylpyrazol-4-yl)propan-2-ol
SMILESCCn1cc(C(C)(O)CNC(C)(C)C)cn1
InChIInChI=1S/C12H23N3O/c1-6-15-8-10(7-14-15)12(5,16)9-13-11(2,3)4/h7-8,13,16H,6,9H2,1-5H3
InChIKeyWZBZNWXDDMLWTD-UHFFFAOYSA-N
XLogP1.50
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-2-(1-ethylpyrazol-4-yl)propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-2-(1-ethylpyrazol-4-yl)propan-2-ol (CID 66038938) is 1-(tert-butylamino)-2-(1-ethylpyrazol-4-yl)propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-2-(1-ethylpyrazol-4-yl)propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-2-(1-ethylpyrazol-4-yl)propan-2-ol is CCn1cc(C(C)(O)CNC(C)(C)C)cn1.
What is the InChIKey of 1-(tert-butylamino)-2-(1-ethylpyrazol-4-yl)propan-2-ol?
The InChIKey is WZBZNWXDDMLWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-6-15-8-10(7-14-15)12(5,16)9-13-11(2,3)4/h7-8,13,16H,6,9H2,1-5H3.
What are the key properties of 1-(tert-butylamino)-2-(1-ethylpyrazol-4-yl)propan-2-ol?
1-(tert-butylamino)-2-(1-ethylpyrazol-4-yl)propan-2-ol has a molecular weight of 225.34 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-2-(1-ethylpyrazol-4-yl)propan-2-ol is sourced from PubChem (CID 66038938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).