2-[4-(morpholine-4-carbonyl)pyrazol-1-yl]-2-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]ethenone

C19H23N7O3 — CID 123301378

IUPAC2-[4-(morpholine-4-carbonyl)pyrazol-1-yl]-2-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]ethenone
SMILESO=C=C(N1CCN(Cc2cncnc2)CC1)n1cc(C(=O)N2CCOCC2)cn1
InChIInChI=1S/C19H23N7O3/c27-14-18(24-3-1-23(2-4-24)12-16-9-20-15-21-10-16)26-13-17(11-22-26)19(28)25-5-7-29-8-6-25/h9-11,13,15H,1-8,12H2
InChIKeyUJLFSOABGMNRKI-UHFFFAOYSA-N
MW397.44 g/mol
LogP-0.41
Rot. Bonds5

About 2-[4-(morpholine-4-carbonyl)pyrazol-1-yl]-2-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]ethenone

2-[4-(morpholine-4-carbonyl)pyrazol-1-yl]-2-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]ethenone (PubChem CID 123301378) has the molecular formula C19H23N7O3 and a molecular weight of 397.44 g/mol. Its IUPAC name is 2-[4-(morpholine-4-carbonyl)pyrazol-1-yl]-2-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]ethenone.

Molecular Properties

Compound Name2-[4-(morpholine-4-carbonyl)pyrazol-1-yl]-2-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]ethenone
PubChem CID123301378
Molecular FormulaC19H23N7O3
Molecular Weight397.44 g/mol
Exact Mass397.19
IUPAC Name2-[4-(morpholine-4-carbonyl)pyrazol-1-yl]-2-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]ethenone
SMILESO=C=C(N1CCN(Cc2cncnc2)CC1)n1cc(C(=O)N2CCOCC2)cn1
InChIInChI=1S/C19H23N7O3/c27-14-18(24-3-1-23(2-4-24)12-16-9-20-15-21-10-16)26-13-17(11-22-26)19(28)25-5-7-29-8-6-25/h9-11,13,15H,1-8,12H2
InChIKeyUJLFSOABGMNRKI-UHFFFAOYSA-N
XLogP-0.41
TPSA96.69 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 5-0.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}

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Related Compounds

azetidin-1-yl-[1-[4-(pyrimidin-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone
CID 118526425
morpholin-4-yl-[1-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone
CID 118526485
morpholin-4-yl-[1-[4-(pyrimidin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone
CID 118526844
4-(pyrimidin-5-ylmethyl)morpholine
CID 130750424
(4-methylpyrazol-1-yl)-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]methanone
CID 130187588
(4-benzylpiperazin-1-yl)-pyrimidin-5-ylmethanone
CID 110853065
[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone
CID 118526544
(4-chloropyrazol-1-yl)-[4-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 118526524
(1-benzylpyrazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226790
1-[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 24671528
(1-phenylpyrazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226792
(3-methyl-1-benzothiophen-2-yl)-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]methanone
CID 166194679

Frequently Asked Questions

What is the IUPAC name of 2-[4-(morpholine-4-carbonyl)pyrazol-1-yl]-2-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]ethenone?
The IUPAC name of 2-[4-(morpholine-4-carbonyl)pyrazol-1-yl]-2-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]ethenone (CID 123301378) is 2-[4-(morpholine-4-carbonyl)pyrazol-1-yl]-2-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]ethenone.
What is the SMILES notation for 2-[4-(morpholine-4-carbonyl)pyrazol-1-yl]-2-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]ethenone?
The canonical SMILES for 2-[4-(morpholine-4-carbonyl)pyrazol-1-yl]-2-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]ethenone is O=C=C(N1CCN(Cc2cncnc2)CC1)n1cc(C(=O)N2CCOCC2)cn1.
What is the InChIKey of 2-[4-(morpholine-4-carbonyl)pyrazol-1-yl]-2-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]ethenone?
The InChIKey is UJLFSOABGMNRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O3/c27-14-18(24-3-1-23(2-4-24)12-16-9-20-15-21-10-16)26-13-17(11-22-26)19(28)25-5-7-29-8-6-25/h9-11,13,15H,1-8,12H2.
What are the key properties of 2-[4-(morpholine-4-carbonyl)pyrazol-1-yl]-2-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]ethenone?
2-[4-(morpholine-4-carbonyl)pyrazol-1-yl]-2-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]ethenone has a molecular weight of 397.44 g/mol, XLogP of -0.41, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(morpholine-4-carbonyl)pyrazol-1-yl]-2-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]ethenone is sourced from PubChem (CID 123301378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).