(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone

C15H27N5O — CID 66123498

IUPAC(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone
SMILESCCn1nc(C)c(N)c1C(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H27N5O/c1-6-20-13(12(16)11(2)17-20)14(21)18-7-9-19(10-8-18)15(3,4)5/h6-10,16H2,1-5H3
InChIKeyDXUFFJPAKRNWPU-UHFFFAOYSA-N
MW293.42 g/mol
LogP1.35
Rot. Bonds2

About (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone

(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone (PubChem CID 66123498) has the molecular formula C15H27N5O and a molecular weight of 293.42 g/mol. Its IUPAC name is (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone
PubChem CID66123498
Molecular FormulaC15H27N5O
Molecular Weight293.42 g/mol
Exact Mass293.22
IUPAC Name(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone
SMILESCCn1nc(C)c(N)c1C(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H27N5O/c1-6-20-13(12(16)11(2)17-20)14(21)18-7-9-19(10-8-18)15(3,4)5/h6-10,16H2,1-5H3
InChIKeyDXUFFJPAKRNWPU-UHFFFAOYSA-N
XLogP1.35
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 66125786
(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(4-propylazepan-1-yl)methanone
CID 66124295
(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(3-methylpiperidin-1-yl)methanone
CID 66123272
(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone
CID 66125702
(4-amino-1-ethyl-3-methylpyrazol-5-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112623813
(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)methanone
CID 66124677
(4-amino-1-ethyl-3-methylpyrazol-5-yl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 81458950
(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 66125060
(4-amino-1-ethyl-3-methylpyrazol-5-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107210010
4-(4-amino-1-ethyl-3-methylpyrazole-5-carbonyl)-3-methylpiperazin-2-one
CID 66123902
(4-amino-5-methyl-1H-pyrazol-3-yl)-(4-tert-butylpiperazin-1-yl)methanone
CID 62083202
(2-amino-4-methyl-1,3-thiazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone
CID 62793634

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone?
The IUPAC name of (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone (CID 66123498) is (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone?
The canonical SMILES for (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone is CCn1nc(C)c(N)c1C(=O)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone?
The InChIKey is DXUFFJPAKRNWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-6-20-13(12(16)11(2)17-20)14(21)18-7-9-19(10-8-18)15(3,4)5/h6-10,16H2,1-5H3.
What are the key properties of (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone?
(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone has a molecular weight of 293.42 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone is sourced from PubChem (CID 66123498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).