(3,5-dimethyl-1H-pyrazol-4-yl)-[(3S)-3-methylpiperazin-1-yl]methanone

C11H18N4O — CID 104976335

IUPAC(3,5-dimethyl-1H-pyrazol-4-yl)-[(3S)-3-methylpiperazin-1-yl]methanone
SMILESCc1n[nH]c(C)c1C(=O)N1CCN[C@@H](C)C1
InChIInChI=1S/C11H18N4O/c1-7-6-15(5-4-12-7)11(16)10-8(2)13-14-9(10)3/h7,12H,4-6H2,1-3H3,(H,13,14)/t7-/m0/s1
InChIKeyVWPKWBWXMQABKO-ZETCQYMHSA-N
MW222.29 g/mol
LogP0.46
Rot. Bonds1

About (3,5-dimethyl-1H-pyrazol-4-yl)-[(3S)-3-methylpiperazin-1-yl]methanone

(3,5-dimethyl-1H-pyrazol-4-yl)-[(3S)-3-methylpiperazin-1-yl]methanone (PubChem CID 104976335) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is (3,5-dimethyl-1H-pyrazol-4-yl)-[(3S)-3-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1H-pyrazol-4-yl)-[(3S)-3-methylpiperazin-1-yl]methanone
PubChem CID104976335
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name(3,5-dimethyl-1H-pyrazol-4-yl)-[(3S)-3-methylpiperazin-1-yl]methanone
SMILESCc1n[nH]c(C)c1C(=O)N1CCN[C@@H](C)C1
InChIInChI=1S/C11H18N4O/c1-7-6-15(5-4-12-7)11(16)10-8(2)13-14-9(10)3/h7,12H,4-6H2,1-3H3,(H,13,14)/t7-/m0/s1
InChIKeyVWPKWBWXMQABKO-ZETCQYMHSA-N
XLogP0.46
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1H-pyrazol-4-yl)-[(3S)-3-methylpiperazin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1H-pyrazol-4-yl)-[(3S)-3-methylpiperazin-1-yl]methanone (CID 104976335) is (3,5-dimethyl-1H-pyrazol-4-yl)-[(3S)-3-methylpiperazin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1H-pyrazol-4-yl)-[(3S)-3-methylpiperazin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1H-pyrazol-4-yl)-[(3S)-3-methylpiperazin-1-yl]methanone is Cc1n[nH]c(C)c1C(=O)N1CCN[C@@H](C)C1.
What is the InChIKey of (3,5-dimethyl-1H-pyrazol-4-yl)-[(3S)-3-methylpiperazin-1-yl]methanone?
The InChIKey is VWPKWBWXMQABKO-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H18N4O/c1-7-6-15(5-4-12-7)11(16)10-8(2)13-14-9(10)3/h7,12H,4-6H2,1-3H3,(H,13,14)/t7-/m0/s1.
What are the key properties of (3,5-dimethyl-1H-pyrazol-4-yl)-[(3S)-3-methylpiperazin-1-yl]methanone?
(3,5-dimethyl-1H-pyrazol-4-yl)-[(3S)-3-methylpiperazin-1-yl]methanone has a molecular weight of 222.29 g/mol, XLogP of 0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1H-pyrazol-4-yl)-[(3S)-3-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 104976335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).