2-(tert-butylamino)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone

C13H23N3O2 — CID 114670106

IUPAC2-(tert-butylamino)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone
SMILESCCCn1ncc(OC)c1C(=O)CNC(C)(C)C
InChIInChI=1S/C13H23N3O2/c1-6-7-16-12(11(18-5)9-15-16)10(17)8-14-13(2,3)4/h9,14H,6-8H2,1-5H3
InChIKeyPXHKLZKHFNUVTQ-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.87
Rot. Bonds6

About 2-(tert-butylamino)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone

2-(tert-butylamino)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone (PubChem CID 114670106) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(tert-butylamino)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone
PubChem CID114670106
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-(tert-butylamino)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone
SMILESCCCn1ncc(OC)c1C(=O)CNC(C)(C)C
InChIInChI=1S/C13H23N3O2/c1-6-7-16-12(11(18-5)9-15-16)10(17)8-14-13(2,3)4/h9,14H,6-8H2,1-5H3
InChIKeyPXHKLZKHFNUVTQ-UHFFFAOYSA-N
XLogP1.87
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(tert-butylamino)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone
CID 114670105
1-(4-methoxy-1-propylpyrazol-5-yl)decan-1-one
CID 115810940
N-[(4-methoxy-1-propylpyrazol-5-yl)methyl]-2-methylpropan-2-amine
CID 114652183
2-amino-3,3,3-trifluoro-1-(4-methoxy-1-propylpyrazol-5-yl)-2-methylpropan-1-one
CID 114670313
4-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one
CID 105133556
2-(2-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone
CID 114639487
2-(1-aminocyclopentyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone
CID 114669614
1-(4-methoxy-1-propylpyrazol-5-yl)-2-thiophen-2-ylethanone
CID 114639732
1-(4-methoxy-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 114641103
3-amino-1-(4-methoxy-1-propylpyrazol-5-yl)-2-methylpropan-1-one
CID 114668938
1-(4-bromo-1-propylpyrazol-5-yl)-3-(tert-butylamino)propan-1-one
CID 114668606
(1,5-dimethylpyrazol-4-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 105133531

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone?
The IUPAC name of 2-(tert-butylamino)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone (CID 114670106) is 2-(tert-butylamino)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone.
What is the SMILES notation for 2-(tert-butylamino)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone?
The canonical SMILES for 2-(tert-butylamino)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone is CCCn1ncc(OC)c1C(=O)CNC(C)(C)C.
What is the InChIKey of 2-(tert-butylamino)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone?
The InChIKey is PXHKLZKHFNUVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-6-7-16-12(11(18-5)9-15-16)10(17)8-14-13(2,3)4/h9,14H,6-8H2,1-5H3.
What are the key properties of 2-(tert-butylamino)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone?
2-(tert-butylamino)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone has a molecular weight of 253.35 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone is sourced from PubChem (CID 114670106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).