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

C12H21N5O — CID 66125786

IUPAC(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCCn1nc(C)c(N)c1C(=O)N1CCN(C)CC1
InChIInChI=1S/C12H21N5O/c1-4-17-11(10(13)9(2)14-17)12(18)16-7-5-15(3)6-8-16/h4-8,13H2,1-3H3
InChIKeyPXRSZBYAGHZAIR-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.18
Rot. Bonds2

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

(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 66125786) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID66125786
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCCn1nc(C)c(N)c1C(=O)N1CCN(C)CC1
InChIInChI=1S/C12H21N5O/c1-4-17-11(10(13)9(2)14-17)12(18)16-7-5-15(3)6-8-16/h4-8,13H2,1-3H3
InChIKeyPXRSZBYAGHZAIR-UHFFFAOYSA-N
XLogP0.18
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 ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(4-methylpiperazin-1-yl)methanone (CID 66125786) is (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(4-methylpiperazin-1-yl)methanone is CCn1nc(C)c(N)c1C(=O)N1CCN(C)CC1.
What is the InChIKey of (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is PXRSZBYAGHZAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-4-17-11(10(13)9(2)14-17)12(18)16-7-5-15(3)6-8-16/h4-8,13H2,1-3H3.
What are the key properties of (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(4-methylpiperazin-1-yl)methanone?
(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 251.33 g/mol, XLogP of 0.18, 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-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 66125786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).