(4-amino-5-methyl-1H-pyrazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone

C11H19N5O — CID 63605521

IUPAC(4-amino-5-methyl-1H-pyrazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone
SMILESCc1[nH]nc(C(=O)N2CCN(C)C(C)C2)c1N
InChIInChI=1S/C11H19N5O/c1-7-6-16(5-4-15(7)3)11(17)10-9(12)8(2)13-14-10/h7H,4-6,12H2,1-3H3,(H,13,14)
InChIKeyVNEBCQUKHUSIHY-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.08
Rot. Bonds1

About (4-amino-5-methyl-1H-pyrazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone

(4-amino-5-methyl-1H-pyrazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone (PubChem CID 63605521) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is (4-amino-5-methyl-1H-pyrazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-5-methyl-1H-pyrazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone
PubChem CID63605521
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name(4-amino-5-methyl-1H-pyrazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone
SMILESCc1[nH]nc(C(=O)N2CCN(C)C(C)C2)c1N
InChIInChI=1S/C11H19N5O/c1-7-6-16(5-4-15(7)3)11(17)10-9(12)8(2)13-14-10/h7H,4-6,12H2,1-3H3,(H,13,14)
InChIKeyVNEBCQUKHUSIHY-UHFFFAOYSA-N
XLogP0.08
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-amino-5-methyl-1H-pyrazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone?
The IUPAC name of (4-amino-5-methyl-1H-pyrazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone (CID 63605521) is (4-amino-5-methyl-1H-pyrazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-amino-5-methyl-1H-pyrazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for (4-amino-5-methyl-1H-pyrazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone is Cc1[nH]nc(C(=O)N2CCN(C)C(C)C2)c1N.
What is the InChIKey of (4-amino-5-methyl-1H-pyrazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone?
The InChIKey is VNEBCQUKHUSIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-7-6-16(5-4-15(7)3)11(17)10-9(12)8(2)13-14-10/h7H,4-6,12H2,1-3H3,(H,13,14).
What are the key properties of (4-amino-5-methyl-1H-pyrazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone?
(4-amino-5-methyl-1H-pyrazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone has a molecular weight of 237.31 g/mol, XLogP of 0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-methyl-1H-pyrazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 63605521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).