2-[5-cyclopropyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone

C23H29N5O3 — CID 42285783

IUPAC2-[5-cyclopropyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(Cn1nc(C(=O)N2CCOCC2)cc1C1CC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H29N5O3/c29-22(26-10-8-25(9-11-26)19-4-2-1-3-5-19)17-28-21(18-6-7-18)16-20(24-28)23(30)27-12-14-31-15-13-27/h1-5,16,18H,6-15,17H2
InChIKeyJYTOKGYRIRHIMN-UHFFFAOYSA-N
MW423.52 g/mol
LogP1.58
Rot. Bonds5

About 2-[5-cyclopropyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone

2-[5-cyclopropyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 42285783) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID42285783
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC Name2-[5-cyclopropyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(Cn1nc(C(=O)N2CCOCC2)cc1C1CC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H29N5O3/c29-22(26-10-8-25(9-11-26)19-4-2-1-3-5-19)17-28-21(18-6-7-18)16-20(24-28)23(30)27-12-14-31-15-13-27/h1-5,16,18H,6-15,17H2
InChIKeyJYTOKGYRIRHIMN-UHFFFAOYSA-N
XLogP1.58
TPSA70.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-morpholin-4-yl-2-oxoethyl)-4-phenyl-5-piperidin-4-yl-1,2,4-triazol-3-one
CID 56723253
2-[5-cyclopropyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 42285801
(1-benzyl-5-cyclopropylpyrazol-3-yl)-[4-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]methanone
CID 70802630
1-[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55759044
6-cyclopropyl-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one
CID 122160609
morpholin-4-yl-[5-(4-phenylpiperazin-1-yl)pyrazin-2-yl]methanone
CID 109276422
4-cyclopropyl-6-(2-morpholin-4-yl-2-oxoethyl)-1-phenylpyrazolo[4,5-d]pyridazin-7-one
CID 30607360
(6-morpholin-4-yl-2-pyridinyl)-(4-phenylpiperazin-1-yl)methanone
CID 84574001
1-(4-phenylpiperazin-1-yl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]ethanone
CID 50806834
3-(oxan-4-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 84577370
6-cyclopropyl-2-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 122278600
5-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,2,4-triazol-3-one
CID 121069978

Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[5-cyclopropyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone (CID 42285783) is 2-[5-cyclopropyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[5-cyclopropyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[5-cyclopropyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone is O=C(Cn1nc(C(=O)N2CCOCC2)cc1C1CC1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-[5-cyclopropyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is JYTOKGYRIRHIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3/c29-22(26-10-8-25(9-11-26)19-4-2-1-3-5-19)17-28-21(18-6-7-18)16-20(24-28)23(30)27-12-14-31-15-13-27/h1-5,16,18H,6-15,17H2.
What are the key properties of 2-[5-cyclopropyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone?
2-[5-cyclopropyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 423.52 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 42285783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).