(4-methylpiperazin-1-yl)-(1H-pyrazol-5-yl)methanone

C9H14N4O — CID 60779006

IUPAC(4-methylpiperazin-1-yl)-(1H-pyrazol-5-yl)methanone
SMILESCN1CCN(C(=O)c2ccn[nH]2)CC1
InChIInChI=1S/C9H14N4O/c1-12-4-6-13(7-5-12)9(14)8-2-3-10-11-8/h2-3H,4-7H2,1H3,(H,10,11)
InChIKeyHHHOBXCJGNNREQ-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.20
Rot. Bonds1

About (4-methylpiperazin-1-yl)-(1H-pyrazol-5-yl)methanone

(4-methylpiperazin-1-yl)-(1H-pyrazol-5-yl)methanone (PubChem CID 60779006) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(1H-pyrazol-5-yl)methanone
PubChem CID60779006
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name(4-methylpiperazin-1-yl)-(1H-pyrazol-5-yl)methanone
SMILESCN1CCN(C(=O)c2ccn[nH]2)CC1
InChIInChI=1S/C9H14N4O/c1-12-4-6-13(7-5-12)9(14)8-2-3-10-11-8/h2-3H,4-7H2,1H3,(H,10,11)
InChIKeyHHHOBXCJGNNREQ-UHFFFAOYSA-N
XLogP-0.20
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(1H-pyrazole-5-carbonyl)piperazin-1-yl]propanoic acid
CID 62317788
[4-(4-methylphenyl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 171622128
1-(1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 166600812
(3-hydroxy-3-methylpyrrolidin-1-yl)-(1H-pyrazol-5-yl)methanone
CID 103727095
2-[4-(1H-pyrazole-5-carbonyl)-1,4-diazepan-1-yl]acetic acid
CID 62823385
[4-(1-aminopentan-2-yl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 63340822
1-(4-methylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)ethanone
CID 84579292
[(3S)-3-hydroxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 79029409
N-cyclohexyl-4-(1H-pyrazole-5-carbonyl)piperazine-1-carboxamide
CID 138993599
[4-(methylaminomethyl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone;hydrochloride
CID 119544034
[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-(1H-pyrazol-5-yl)methanone
CID 70758686
[4-(ethylaminomethyl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone;hydrochloride
CID 119645537

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(1H-pyrazol-5-yl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(1H-pyrazol-5-yl)methanone (CID 60779006) is (4-methylpiperazin-1-yl)-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(1H-pyrazol-5-yl)methanone is CN1CCN(C(=O)c2ccn[nH]2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(1H-pyrazol-5-yl)methanone?
The InChIKey is HHHOBXCJGNNREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-12-4-6-13(7-5-12)9(14)8-2-3-10-11-8/h2-3H,4-7H2,1H3,(H,10,11).
What are the key properties of (4-methylpiperazin-1-yl)-(1H-pyrazol-5-yl)methanone?
(4-methylpiperazin-1-yl)-(1H-pyrazol-5-yl)methanone has a molecular weight of 194.24 g/mol, XLogP of -0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 60779006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).