(1,5-dimethylpyrazol-3-yl)-(4-methylpiperazin-1-yl)methanone

C11H18N4O — CID 53017421

IUPAC(1,5-dimethylpyrazol-3-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCN(C)CC2)nn1C
InChIInChI=1S/C11H18N4O/c1-9-8-10(12-14(9)3)11(16)15-6-4-13(2)5-7-15/h8H,4-7H2,1-3H3
InChIKeyKIYSPBCERQUQQZ-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.12
Rot. Bonds1

About (1,5-dimethylpyrazol-3-yl)-(4-methylpiperazin-1-yl)methanone

(1,5-dimethylpyrazol-3-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 53017421) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-3-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-3-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID53017421
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name(1,5-dimethylpyrazol-3-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCN(C)CC2)nn1C
InChIInChI=1S/C11H18N4O/c1-9-8-10(12-14(9)3)11(16)15-6-4-13(2)5-7-15/h8H,4-7H2,1-3H3
InChIKeyKIYSPBCERQUQQZ-UHFFFAOYSA-N
XLogP0.12
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-{[1-(tert-butyl)-5-methyl-1H-pyrazol-3-yl]carbonyl}-4-piperidinecarboxylate
CID 2813428
N,1,5-trimethyl-1H-pyrazole-3-carboxamide
CID 19279808
Pyrazole-3,5-dicarboxamide, N,N,N',N',1-pentamethyl-
CID 3035271
1-ethyl-3-methyl-1H-pyrazole-5-carbonyl isothiocyanate
CID 66120676
(1,5-Dimethylpyrazol-3-yl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone
CID 2738511
1-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-3-methyl-N-propylpiperidine-3-carboxamide
CID 46944163
1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-N-ethyl-3-methylpiperidine-3-carboxamide
CID 49795728
(5-Chloro-1-methyl-1H-pyrazol-3-yl)-1-piperidinylmethanone
CID 2777247
2-[5-Methyl-3-(trifluoromethyl)pyrazolyl]-1-piperidylethan-1-one
CID 2256952
1-tert-butyl-5-methyl-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide
CID 53501404
1,5-dimethyl-1H-pyrazole-3-carbohydrazide
CID 2743273
Carbamic acid, N-[[5-(aminocarbonyl)-1-methyl-1H-pyrazol-3-yl]methyl]-N-methyl-, 1,1-dimethylethyl ester
CID 117810339

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-3-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (1,5-dimethylpyrazol-3-yl)-(4-methylpiperazin-1-yl)methanone (CID 53017421) is (1,5-dimethylpyrazol-3-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (1,5-dimethylpyrazol-3-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (1,5-dimethylpyrazol-3-yl)-(4-methylpiperazin-1-yl)methanone is Cc1cc(C(=O)N2CCN(C)CC2)nn1C.
What is the InChIKey of (1,5-dimethylpyrazol-3-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is KIYSPBCERQUQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-9-8-10(12-14(9)3)11(16)15-6-4-13(2)5-7-15/h8H,4-7H2,1-3H3.
What are the key properties of (1,5-dimethylpyrazol-3-yl)-(4-methylpiperazin-1-yl)methanone?
(1,5-dimethylpyrazol-3-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 222.29 g/mol, XLogP of 0.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-3-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 53017421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).