1-[3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione

C16H22N6O3 — CID 90506360

IUPAC1-[3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
SMILESCc1n[nH]c(C)c1N1CCN(C(=O)CCn2ccc(=O)[nH]c2=O)CC1
InChIInChI=1S/C16H22N6O3/c1-11-15(12(2)19-18-11)21-9-7-20(8-10-21)14(24)4-6-22-5-3-13(23)17-16(22)25/h3,5H,4,6-10H2,1-2H3,(H,18,19)(H,17,23,25)
InChIKeyGDWOGYGZAKKHRD-UHFFFAOYSA-N
MW346.39 g/mol
LogP-0.38
Rot. Bonds4

About 1-[3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione

1-[3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione (PubChem CID 90506360) has the molecular formula C16H22N6O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 1-[3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
PubChem CID90506360
Molecular FormulaC16H22N6O3
Molecular Weight346.39 g/mol
Exact Mass346.18
IUPAC Name1-[3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
SMILESCc1n[nH]c(C)c1N1CCN(C(=O)CCn2ccc(=O)[nH]c2=O)CC1
InChIInChI=1S/C16H22N6O3/c1-11-15(12(2)19-18-11)21-9-7-20(8-10-21)14(24)4-6-22-5-3-13(23)17-16(22)25/h3,5H,4,6-10H2,1-2H3,(H,18,19)(H,17,23,25)
InChIKeyGDWOGYGZAKKHRD-UHFFFAOYSA-N
XLogP-0.38
TPSA107.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione with MolForge

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Related Compounds

3-[3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 90506363
1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]pentan-1-one
CID 90506378
1-[3-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
CID 90508680
1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 90506464
1-[3-[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
CID 166309527
1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-2-(1-methylindol-3-yl)ethanone
CID 90506349
1-[3-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-oxopropyl]pyrimidine-2,4-dione
CID 56869932
3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 90506344
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-propan-2-ylphenoxy)ethanone
CID 90506459
1-[3-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
CID 121059970
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

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione (CID 90506360) is 1-[3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione is Cc1n[nH]c(C)c1N1CCN(C(=O)CCn2ccc(=O)[nH]c2=O)CC1.
What is the InChIKey of 1-[3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione?
The InChIKey is GDWOGYGZAKKHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O3/c1-11-15(12(2)19-18-11)21-9-7-20(8-10-21)14(24)4-6-22-5-3-13(23)17-16(22)25/h3,5H,4,6-10H2,1-2H3,(H,18,19)(H,17,23,25).
What are the key properties of 1-[3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione?
1-[3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione has a molecular weight of 346.39 g/mol, XLogP of -0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione is sourced from PubChem (CID 90506360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).