1-[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone

C21H27N5O3 — CID 55759044

IUPAC1-[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone
SMILESCc1cc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)nn1-c1ccccc1
InChIInChI=1S/C21H27N5O3/c1-17-15-19(22-26(17)18-5-3-2-4-6-18)21(28)25-9-7-24(8-10-25)20(27)16-23-11-13-29-14-12-23/h2-6,15H,7-14,16H2,1H3
InChIKeyKBIIZWOCIIJOHA-UHFFFAOYSA-N
MW397.48 g/mol
LogP0.80
Rot. Bonds4

About 1-[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone

1-[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 55759044) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is 1-[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone
PubChem CID55759044
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC Name1-[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone
SMILESCc1cc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)nn1-c1ccccc1
InChIInChI=1S/C21H27N5O3/c1-17-15-19(22-26(17)18-5-3-2-4-6-18)21(28)25-9-7-24(8-10-25)20(27)16-23-11-13-29-14-12-23/h2-6,15H,7-14,16H2,1H3
InChIKeyKBIIZWOCIIJOHA-UHFFFAOYSA-N
XLogP0.80
TPSA70.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone (CID 55759044) is 1-[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone is Cc1cc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)nn1-c1ccccc1.
What is the InChIKey of 1-[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is KBIIZWOCIIJOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-17-15-19(22-26(17)18-5-3-2-4-6-18)21(28)25-9-7-24(8-10-25)20(27)16-23-11-13-29-14-12-23/h2-6,15H,7-14,16H2,1H3.
What are the key properties of 1-[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone?
1-[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 397.48 g/mol, XLogP of 0.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 55759044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).