1-[3-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione

C18H26N6O3 — CID 90508680

IUPAC1-[3-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
SMILESCc1cc(C)n(CCN2CCN(C(=O)CCn3ccc(=O)[nH]c3=O)CC2)n1
InChIInChI=1S/C18H26N6O3/c1-14-13-15(2)24(20-14)12-9-21-7-10-22(11-8-21)17(26)4-6-23-5-3-16(25)19-18(23)27/h3,5,13H,4,6-12H2,1-2H3,(H,19,25,27)
InChIKeyMVZACQKLTRGPSJ-UHFFFAOYSA-N
MW374.45 g/mol
LogP-0.42
Rot. Bonds6

About 1-[3-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione

1-[3-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione (PubChem CID 90508680) has the molecular formula C18H26N6O3 and a molecular weight of 374.45 g/mol. Its IUPAC name is 1-[3-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[3-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
PubChem CID90508680
Molecular FormulaC18H26N6O3
Molecular Weight374.45 g/mol
Exact Mass374.21
IUPAC Name1-[3-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
SMILESCc1cc(C)n(CCN2CCN(C(=O)CCn3ccc(=O)[nH]c3=O)CC2)n1
InChIInChI=1S/C18H26N6O3/c1-14-13-15(2)24(20-14)12-9-21-7-10-22(11-8-21)17(26)4-6-23-5-3-16(25)19-18(23)27/h3,5,13H,4,6-12H2,1-2H3,(H,19,25,27)
InChIKeyMVZACQKLTRGPSJ-UHFFFAOYSA-N
XLogP-0.42
TPSA96.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[3-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione (CID 90508680) is 1-[3-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[3-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[3-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione is Cc1cc(C)n(CCN2CCN(C(=O)CCn3ccc(=O)[nH]c3=O)CC2)n1.
What is the InChIKey of 1-[3-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione?
The InChIKey is MVZACQKLTRGPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O3/c1-14-13-15(2)24(20-14)12-9-21-7-10-22(11-8-21)17(26)4-6-23-5-3-16(25)19-18(23)27/h3,5,13H,4,6-12H2,1-2H3,(H,19,25,27).
What are the key properties of 1-[3-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione?
1-[3-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione has a molecular weight of 374.45 g/mol, XLogP of -0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione is sourced from PubChem (CID 90508680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).