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

C15H27N5O — CID 66125702

IUPAC(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone
SMILESCCc1nn(C)c(C(=O)N2CCN(C(C)(C)C)CC2)c1N
InChIInChI=1S/C15H27N5O/c1-6-11-12(16)13(18(5)17-11)14(21)19-7-9-20(10-8-19)15(2,3)4/h6-10,16H2,1-5H3
InChIKeyRPFMNCVHWVEBCZ-UHFFFAOYSA-N
MW293.42 g/mol
LogP1.12
Rot. Bonds2

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

(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone (PubChem CID 66125702) has the molecular formula C15H27N5O and a molecular weight of 293.42 g/mol. Its IUPAC name is (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone
PubChem CID66125702
Molecular FormulaC15H27N5O
Molecular Weight293.42 g/mol
Exact Mass293.22
IUPAC Name(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone
SMILESCCc1nn(C)c(C(=O)N2CCN(C(C)(C)C)CC2)c1N
InChIInChI=1S/C15H27N5O/c1-6-11-12(16)13(18(5)17-11)14(21)19-7-9-20(10-8-19)15(2,3)4/h6-10,16H2,1-5H3
InChIKeyRPFMNCVHWVEBCZ-UHFFFAOYSA-N
XLogP1.12
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 ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone?
The IUPAC name of (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone (CID 66125702) is (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone?
The canonical SMILES for (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone is CCc1nn(C)c(C(=O)N2CCN(C(C)(C)C)CC2)c1N.
What is the InChIKey of (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone?
The InChIKey is RPFMNCVHWVEBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-6-11-12(16)13(18(5)17-11)14(21)19-7-9-20(10-8-19)15(2,3)4/h6-10,16H2,1-5H3.
What are the key properties of (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone?
(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone has a molecular weight of 293.42 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone is sourced from PubChem (CID 66125702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).