1-(3-ethyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)-3-(4-methylpiperazin-1-yl)urea

C18H22N6O2 — CID 22449181

IUPAC1-(3-ethyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)-3-(4-methylpiperazin-1-yl)urea
SMILESCCc1[nH]nc2c1C(=O)c1c(NC(=O)NN3CCN(C)CC3)cccc1-2
InChIInChI=1S/C18H22N6O2/c1-3-12-15-16(21-20-12)11-5-4-6-13(14(11)17(15)25)19-18(26)22-24-9-7-23(2)8-10-24/h4-6H,3,7-10H2,1-2H3,(H,20,21)(H2,19,22,26)
InChIKeyCWOPCZIGYDTNGI-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.47
Rot. Bonds3

About 1-(3-ethyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)-3-(4-methylpiperazin-1-yl)urea

1-(3-ethyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)-3-(4-methylpiperazin-1-yl)urea (PubChem CID 22449181) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-(3-ethyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)-3-(4-methylpiperazin-1-yl)urea.

Molecular Properties

Compound Name1-(3-ethyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)-3-(4-methylpiperazin-1-yl)urea
PubChem CID22449181
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name1-(3-ethyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)-3-(4-methylpiperazin-1-yl)urea
SMILESCCc1[nH]nc2c1C(=O)c1c(NC(=O)NN3CCN(C)CC3)cccc1-2
InChIInChI=1S/C18H22N6O2/c1-3-12-15-16(21-20-12)11-5-4-6-13(14(11)17(15)25)19-18(26)22-24-9-7-23(2)8-10-24/h4-6H,3,7-10H2,1-2H3,(H,20,21)(H2,19,22,26)
InChIKeyCWOPCZIGYDTNGI-UHFFFAOYSA-N
XLogP1.47
TPSA93.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)-3-(4-methylpiperazin-1-yl)urea?
The IUPAC name of 1-(3-ethyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)-3-(4-methylpiperazin-1-yl)urea (CID 22449181) is 1-(3-ethyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)-3-(4-methylpiperazin-1-yl)urea.
What is the SMILES notation for 1-(3-ethyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)-3-(4-methylpiperazin-1-yl)urea?
The canonical SMILES for 1-(3-ethyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)-3-(4-methylpiperazin-1-yl)urea is CCc1[nH]nc2c1C(=O)c1c(NC(=O)NN3CCN(C)CC3)cccc1-2.
What is the InChIKey of 1-(3-ethyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)-3-(4-methylpiperazin-1-yl)urea?
The InChIKey is CWOPCZIGYDTNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-3-12-15-16(21-20-12)11-5-4-6-13(14(11)17(15)25)19-18(26)22-24-9-7-23(2)8-10-24/h4-6H,3,7-10H2,1-2H3,(H,20,21)(H2,19,22,26).
What are the key properties of 1-(3-ethyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)-3-(4-methylpiperazin-1-yl)urea?
1-(3-ethyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)-3-(4-methylpiperazin-1-yl)urea has a molecular weight of 354.41 g/mol, XLogP of 1.47, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)-3-(4-methylpiperazin-1-yl)urea is sourced from PubChem (CID 22449181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).