1-[4-(1,5-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-2-methylpropan-1-one

C14H22N4O2 — CID 47136455

IUPAC1-[4-(1,5-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCc1c(C(=O)N2CCN(C(=O)C(C)C)CC2)cnn1C
InChIInChI=1S/C14H22N4O2/c1-10(2)13(19)17-5-7-18(8-6-17)14(20)12-9-15-16(4)11(12)3/h9-10H,5-8H2,1-4H3
InChIKeyUKEITVCWJIGAKE-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.67
Rot. Bonds2

About 1-[4-(1,5-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-2-methylpropan-1-one

1-[4-(1,5-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 47136455) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-[4-(1,5-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-(1,5-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
PubChem CID47136455
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1-[4-(1,5-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCc1c(C(=O)N2CCN(C(=O)C(C)C)CC2)cnn1C
InChIInChI=1S/C14H22N4O2/c1-10(2)13(19)17-5-7-18(8-6-17)14(20)12-9-15-16(4)11(12)3/h9-10H,5-8H2,1-4H3
InChIKeyUKEITVCWJIGAKE-UHFFFAOYSA-N
XLogP0.67
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloropiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone
CID 63390631
(1,5-dimethylpyrazol-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 51309247
cyclopentyl-[4-(1,5-dimethylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 135112462
[4-(2-chlorophenyl)piperazin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 51309762
(1,5-dimethylpyrazol-4-yl)-[4-(ethylamino)piperidin-1-yl]methanone
CID 60818934
(1,5-dimethylpyrazol-4-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 51310306
4-(1,5-dimethylpyrazole-4-carbonyl)piperazine-2,6-dione
CID 66085561
[4-(1,5-dimethylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]-(3-methylphenyl)methanone
CID 36637274
(1,5-dimethylpyrazol-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 51309191
1-[4-(5-amino-2-methylpyridine-3-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
CID 61106837
[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 19478074
(1,5-dimethylpyrazol-4-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19478078

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,5-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-(1,5-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-2-methylpropan-1-one (CID 47136455) is 1-[4-(1,5-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-(1,5-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-(1,5-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-2-methylpropan-1-one is Cc1c(C(=O)N2CCN(C(=O)C(C)C)CC2)cnn1C.
What is the InChIKey of 1-[4-(1,5-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is UKEITVCWJIGAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10(2)13(19)17-5-7-18(8-6-17)14(20)12-9-15-16(4)11(12)3/h9-10H,5-8H2,1-4H3.
What are the key properties of 1-[4-(1,5-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-2-methylpropan-1-one?
1-[4-(1,5-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 278.36 g/mol, XLogP of 0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,5-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 47136455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).