1-(tert-butylamino)-3-(1-methylpyrazol-4-yl)propan-2-one

C11H19N3O — CID 116588939

IUPAC1-(tert-butylamino)-3-(1-methylpyrazol-4-yl)propan-2-one
SMILESCn1cc(CC(=O)CNC(C)(C)C)cn1
InChIInChI=1S/C11H19N3O/c1-11(2,3)12-7-10(15)5-9-6-13-14(4)8-9/h6,8,12H,5,7H2,1-4H3
InChIKeyGJQMFQBRYOHVQO-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.92
Rot. Bonds4

About 1-(tert-butylamino)-3-(1-methylpyrazol-4-yl)propan-2-one

1-(tert-butylamino)-3-(1-methylpyrazol-4-yl)propan-2-one (PubChem CID 116588939) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-(1-methylpyrazol-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(tert-butylamino)-3-(1-methylpyrazol-4-yl)propan-2-one
PubChem CID116588939
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-(tert-butylamino)-3-(1-methylpyrazol-4-yl)propan-2-one
SMILESCn1cc(CC(=O)CNC(C)(C)C)cn1
InChIInChI=1S/C11H19N3O/c1-11(2,3)12-7-10(15)5-9-6-13-14(4)8-9/h6,8,12H,5,7H2,1-4H3
InChIKeyGJQMFQBRYOHVQO-UHFFFAOYSA-N
XLogP0.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylmethylamino)-3-(1-methylpyrazol-4-yl)propan-2-one
CID 116557707
tert-butyl 2-(1-methylpyrazol-4-yl)acetate
CID 71758654
1-ethylsulfanyl-3-(1-methylpyrazol-4-yl)propan-2-one
CID 65130546
4-amino-6,6-dimethyl-1-(1-methylpyrazol-4-yl)heptan-2-one
CID 116614716
N-(1-tert-butylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 138992861
4-amino-1-(1-methylpyrazol-4-yl)pentan-2-one
CID 116555966
3-(tert-butylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide
CID 80682189
2-(1-methylpyrazol-4-yl)-N-propan-2-ylacetamide
CID 130716283
2,2-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]-3-oxopropanoic acid
CID 82820912
2,2,3-trimethyl-3-[(1-methylpyrazol-4-yl)methylamino]butanoic acid
CID 65265166
5,5-dimethyl-1-(1-methylpyrazol-4-yl)hexan-3-one
CID 103007465
N-tert-butyl-2,2-dimethyl-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 103014439

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-(1-methylpyrazol-4-yl)propan-2-one?
The IUPAC name of 1-(tert-butylamino)-3-(1-methylpyrazol-4-yl)propan-2-one (CID 116588939) is 1-(tert-butylamino)-3-(1-methylpyrazol-4-yl)propan-2-one.
What is the SMILES notation for 1-(tert-butylamino)-3-(1-methylpyrazol-4-yl)propan-2-one?
The canonical SMILES for 1-(tert-butylamino)-3-(1-methylpyrazol-4-yl)propan-2-one is Cn1cc(CC(=O)CNC(C)(C)C)cn1.
What is the InChIKey of 1-(tert-butylamino)-3-(1-methylpyrazol-4-yl)propan-2-one?
The InChIKey is GJQMFQBRYOHVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-11(2,3)12-7-10(15)5-9-6-13-14(4)8-9/h6,8,12H,5,7H2,1-4H3.
What are the key properties of 1-(tert-butylamino)-3-(1-methylpyrazol-4-yl)propan-2-one?
1-(tert-butylamino)-3-(1-methylpyrazol-4-yl)propan-2-one has a molecular weight of 209.29 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-(1-methylpyrazol-4-yl)propan-2-one is sourced from PubChem (CID 116588939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).