(4-methylpiperazin-1-yl)-(1-propan-2-ylpyrazol-3-yl)methanone

C12H20N4O — CID 59729279

IUPAC(4-methylpiperazin-1-yl)-(1-propan-2-ylpyrazol-3-yl)methanone
SMILESCC(C)n1ccc(C(=O)N2CCN(C)CC2)n1
InChIInChI=1S/C12H20N4O/c1-10(2)16-5-4-11(13-16)12(17)15-8-6-14(3)7-9-15/h4-5,10H,6-9H2,1-3H3
InChIKeyLFAPJFOKGOYZCO-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.85
Rot. Bonds2

About (4-methylpiperazin-1-yl)-(1-propan-2-ylpyrazol-3-yl)methanone

(4-methylpiperazin-1-yl)-(1-propan-2-ylpyrazol-3-yl)methanone (PubChem CID 59729279) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(1-propan-2-ylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(1-propan-2-ylpyrazol-3-yl)methanone
PubChem CID59729279
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name(4-methylpiperazin-1-yl)-(1-propan-2-ylpyrazol-3-yl)methanone
SMILESCC(C)n1ccc(C(=O)N2CCN(C)CC2)n1
InChIInChI=1S/C12H20N4O/c1-10(2)16-5-4-11(13-16)12(17)15-8-6-14(3)7-9-15/h4-5,10H,6-9H2,1-3H3
InChIKeyLFAPJFOKGOYZCO-UHFFFAOYSA-N
XLogP0.85
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]propanoic acid
CID 19623468
(4-methylpiperazin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 2172453
6-[4-(1-propan-2-ylpyrazole-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 136525323
[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
CID 122136096
(1-propan-2-ylpyrazol-3-yl)-(4-pyridazin-3-yl-1,4-diazepan-1-yl)methanone
CID 86945380
[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
CID 86945340
(3-ethylsulfonylazetidin-1-yl)-(1-propan-2-ylpyrazol-3-yl)methanone
CID 122154914
2-[3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]propanoic acid
CID 19623496
(4-methylpiperazin-1-yl)-(6-propan-2-ylpyridazin-3-yl)methanone
CID 113200335
ethyl 4-[1-(difluoromethyl)pyrazole-3-carbonyl]piperazine-1-carboxylate
CID 4866590
(2S)-1-(1-propan-2-ylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 119365692
[2,3-di(propan-2-yl)azetidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
CID 122152024

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(1-propan-2-ylpyrazol-3-yl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(1-propan-2-ylpyrazol-3-yl)methanone (CID 59729279) is (4-methylpiperazin-1-yl)-(1-propan-2-ylpyrazol-3-yl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(1-propan-2-ylpyrazol-3-yl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(1-propan-2-ylpyrazol-3-yl)methanone is CC(C)n1ccc(C(=O)N2CCN(C)CC2)n1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(1-propan-2-ylpyrazol-3-yl)methanone?
The InChIKey is LFAPJFOKGOYZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-10(2)16-5-4-11(13-16)12(17)15-8-6-14(3)7-9-15/h4-5,10H,6-9H2,1-3H3.
What are the key properties of (4-methylpiperazin-1-yl)-(1-propan-2-ylpyrazol-3-yl)methanone?
(4-methylpiperazin-1-yl)-(1-propan-2-ylpyrazol-3-yl)methanone has a molecular weight of 236.32 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(1-propan-2-ylpyrazol-3-yl)methanone is sourced from PubChem (CID 59729279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).