(4-amino-1-ethylpyrazol-5-yl)-(3,4-dimethylpiperazin-1-yl)methanone

C12H21N5O — CID 65358580

IUPAC(4-amino-1-ethylpyrazol-5-yl)-(3,4-dimethylpiperazin-1-yl)methanone
SMILESCCn1ncc(N)c1C(=O)N1CCN(C)C(C)C1
InChIInChI=1S/C12H21N5O/c1-4-17-11(10(13)7-14-17)12(18)16-6-5-15(3)9(2)8-16/h7,9H,4-6,8,13H2,1-3H3
InChIKeyXBPBDMMQCZIRHV-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.26
Rot. Bonds2

About (4-amino-1-ethylpyrazol-5-yl)-(3,4-dimethylpiperazin-1-yl)methanone

(4-amino-1-ethylpyrazol-5-yl)-(3,4-dimethylpiperazin-1-yl)methanone (PubChem CID 65358580) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is (4-amino-1-ethylpyrazol-5-yl)-(3,4-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1-ethylpyrazol-5-yl)-(3,4-dimethylpiperazin-1-yl)methanone
PubChem CID65358580
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name(4-amino-1-ethylpyrazol-5-yl)-(3,4-dimethylpiperazin-1-yl)methanone
SMILESCCn1ncc(N)c1C(=O)N1CCN(C)C(C)C1
InChIInChI=1S/C12H21N5O/c1-4-17-11(10(13)7-14-17)12(18)16-6-5-15(3)9(2)8-16/h7,9H,4-6,8,13H2,1-3H3
InChIKeyXBPBDMMQCZIRHV-UHFFFAOYSA-N
XLogP0.26
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-amino-1-ethylpyrazol-5-yl)-(3,4-dimethylpiperazin-1-yl)methanone?
The IUPAC name of (4-amino-1-ethylpyrazol-5-yl)-(3,4-dimethylpiperazin-1-yl)methanone (CID 65358580) is (4-amino-1-ethylpyrazol-5-yl)-(3,4-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-amino-1-ethylpyrazol-5-yl)-(3,4-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for (4-amino-1-ethylpyrazol-5-yl)-(3,4-dimethylpiperazin-1-yl)methanone is CCn1ncc(N)c1C(=O)N1CCN(C)C(C)C1.
What is the InChIKey of (4-amino-1-ethylpyrazol-5-yl)-(3,4-dimethylpiperazin-1-yl)methanone?
The InChIKey is XBPBDMMQCZIRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-4-17-11(10(13)7-14-17)12(18)16-6-5-15(3)9(2)8-16/h7,9H,4-6,8,13H2,1-3H3.
What are the key properties of (4-amino-1-ethylpyrazol-5-yl)-(3,4-dimethylpiperazin-1-yl)methanone?
(4-amino-1-ethylpyrazol-5-yl)-(3,4-dimethylpiperazin-1-yl)methanone has a molecular weight of 251.33 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-ethylpyrazol-5-yl)-(3,4-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 65358580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).