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

C13H25N3O — CID 66037035

IUPAC1-(tert-butylamino)-2-(1-propylpyrazol-4-yl)propan-2-ol
SMILESCCCn1cc(C(C)(O)CNC(C)(C)C)cn1
InChIInChI=1S/C13H25N3O/c1-6-7-16-9-11(8-15-16)13(5,17)10-14-12(2,3)4/h8-9,14,17H,6-7,10H2,1-5H3
InChIKeyJKLWSWTYTVOPFH-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.89
Rot. Bonds5

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

1-(tert-butylamino)-2-(1-propylpyrazol-4-yl)propan-2-ol (PubChem CID 66037035) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(tert-butylamino)-2-(1-propylpyrazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-2-(1-propylpyrazol-4-yl)propan-2-ol
PubChem CID66037035
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-(tert-butylamino)-2-(1-propylpyrazol-4-yl)propan-2-ol
SMILESCCCn1cc(C(C)(O)CNC(C)(C)C)cn1
InChIInChI=1S/C13H25N3O/c1-6-7-16-9-11(8-15-16)13(5,17)10-14-12(2,3)4/h8-9,14,17H,6-7,10H2,1-5H3
InChIKeyJKLWSWTYTVOPFH-UHFFFAOYSA-N
XLogP1.89
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.89
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-propylpyrazol-4-yl)propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-2-(1-propylpyrazol-4-yl)propan-2-ol (CID 66037035) is 1-(tert-butylamino)-2-(1-propylpyrazol-4-yl)propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-2-(1-propylpyrazol-4-yl)propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-2-(1-propylpyrazol-4-yl)propan-2-ol is CCCn1cc(C(C)(O)CNC(C)(C)C)cn1.
What is the InChIKey of 1-(tert-butylamino)-2-(1-propylpyrazol-4-yl)propan-2-ol?
The InChIKey is JKLWSWTYTVOPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-6-7-16-9-11(8-15-16)13(5,17)10-14-12(2,3)4/h8-9,14,17H,6-7,10H2,1-5H3.
What are the key properties of 1-(tert-butylamino)-2-(1-propylpyrazol-4-yl)propan-2-ol?
1-(tert-butylamino)-2-(1-propylpyrazol-4-yl)propan-2-ol has a molecular weight of 239.36 g/mol, XLogP of 1.89, 5 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-propylpyrazol-4-yl)propan-2-ol is sourced from PubChem (CID 66037035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).