1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]pentan-1-one

C14H24N4O — CID 90506378

IUPAC1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCN(c2c(C)n[nH]c2C)CC1
InChIInChI=1S/C14H24N4O/c1-4-5-6-13(19)17-7-9-18(10-8-17)14-11(2)15-16-12(14)3/h4-10H2,1-3H3,(H,15,16)
InChIKeyYQLMNIGMTFRIQB-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.87
Rot. Bonds4

About 1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]pentan-1-one

1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]pentan-1-one (PubChem CID 90506378) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]pentan-1-one
PubChem CID90506378
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCN(c2c(C)n[nH]c2C)CC1
InChIInChI=1S/C14H24N4O/c1-4-5-6-13(19)17-7-9-18(10-8-17)14-11(2)15-16-12(14)3/h4-10H2,1-3H3,(H,15,16)
InChIKeyYQLMNIGMTFRIQB-UHFFFAOYSA-N
XLogP1.87
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]propan-1-one
CID 90506359
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]ethanone
CID 90506533
1-[3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
CID 90506360
1-[4,7,10,13,16-penta(pentanoyl)-1,4,7,10,13,16-hexazacyclooctadec-1-yl]pentan-1-one
CID 603333
2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 90507340
2-(2-chlorophenyl)-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]ethanone
CID 90506507
1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 90506464
2-benzylsulfanyl-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]ethanone
CID 90506462
1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone
CID 90506459
2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-N-ethylacetamide
CID 90507422
1-(4-octadecanoylpiperazin-1-yl)octadecan-1-one
CID 550164
3-[3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 90506363

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]pentan-1-one?
The IUPAC name of 1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]pentan-1-one (CID 90506378) is 1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]pentan-1-one?
The canonical SMILES for 1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]pentan-1-one is CCCCC(=O)N1CCN(c2c(C)n[nH]c2C)CC1.
What is the InChIKey of 1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]pentan-1-one?
The InChIKey is YQLMNIGMTFRIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-4-5-6-13(19)17-7-9-18(10-8-17)14-11(2)15-16-12(14)3/h4-10H2,1-3H3,(H,15,16).
What are the key properties of 1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]pentan-1-one?
1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]pentan-1-one has a molecular weight of 264.37 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 90506378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).