1-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]butan-1-one

C19H26N4O — CID 90506606

IUPAC1-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(c2c(C)nn(-c3ccccc3)c2C)CC1
InChIInChI=1S/C19H26N4O/c1-4-8-18(24)21-11-13-22(14-12-21)19-15(2)20-23(16(19)3)17-9-6-5-7-10-17/h5-7,9-10H,4,8,11-14H2,1-3H3
InChIKeyKSDSWQPGMDTBRK-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.94
Rot. Bonds4

About 1-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]butan-1-one

1-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]butan-1-one (PubChem CID 90506606) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]butan-1-one
PubChem CID90506606
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name1-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(c2c(C)nn(-c3ccccc3)c2C)CC1
InChIInChI=1S/C19H26N4O/c1-4-8-18(24)21-11-13-22(14-12-21)19-15(2)20-23(16(19)3)17-9-6-5-7-10-17/h5-7,9-10H,4,8,11-14H2,1-3H3
InChIKeyKSDSWQPGMDTBRK-UHFFFAOYSA-N
XLogP2.94
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]pentan-1-one
CID 90506609
2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 90507503
1-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]-2-ethylbutan-1-one
CID 90506613
ethyl 4-[2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]acetyl]piperazine-1-carboxylate
CID 90507505
1-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 90506686
(4-butoxyphenyl)-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]methanone
CID 90506637
cyclopentyl-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]methanone
CID 90506616
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-1-one
CID 9255518
N-(4-tert-butylphenyl)-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine-1-carboxamide
CID 90507044
(5-bromo-3-pyridinyl)-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]methanone
CID 56764533
[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 90506631
4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 90507036

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]butan-1-one?
The IUPAC name of 1-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]butan-1-one (CID 90506606) is 1-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]butan-1-one is CCCC(=O)N1CCN(c2c(C)nn(-c3ccccc3)c2C)CC1.
What is the InChIKey of 1-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]butan-1-one?
The InChIKey is KSDSWQPGMDTBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-4-8-18(24)21-11-13-22(14-12-21)19-15(2)20-23(16(19)3)17-9-6-5-7-10-17/h5-7,9-10H,4,8,11-14H2,1-3H3.
What are the key properties of 1-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]butan-1-one?
1-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]butan-1-one has a molecular weight of 326.44 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 90506606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).