(4-propan-2-ylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone

C11H18N4O — CID 43585587

IUPAC(4-propan-2-ylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C11H18N4O/c1-9(2)14-3-5-15(6-4-14)11(16)10-7-12-13-8-10/h7-9H,3-6H2,1-2H3,(H,12,13)
InChIKeyCWVMEAMBYGVNAA-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.58
Rot. Bonds2

About (4-propan-2-ylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone

(4-propan-2-ylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone (PubChem CID 43585587) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is (4-propan-2-ylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name(4-propan-2-ylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone
PubChem CID43585587
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name(4-propan-2-ylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C11H18N4O/c1-9(2)14-3-5-15(6-4-14)11(16)10-7-12-13-8-10/h7-9H,3-6H2,1-2H3,(H,12,13)
InChIKeyCWVMEAMBYGVNAA-UHFFFAOYSA-N
XLogP0.58
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone?
The IUPAC name of (4-propan-2-ylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone (CID 43585587) is (4-propan-2-ylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for (4-propan-2-ylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone?
The canonical SMILES for (4-propan-2-ylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone is CC(C)N1CCN(C(=O)c2cn[nH]c2)CC1.
What is the InChIKey of (4-propan-2-ylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone?
The InChIKey is CWVMEAMBYGVNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-9(2)14-3-5-15(6-4-14)11(16)10-7-12-13-8-10/h7-9H,3-6H2,1-2H3,(H,12,13).
What are the key properties of (4-propan-2-ylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone?
(4-propan-2-ylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone has a molecular weight of 222.29 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 43585587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).