morpholin-4-yl-[1-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone

C19H24N6O3 — CID 118526485

IUPACmorpholin-4-yl-[1-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone
SMILESO=C(c1cnn(C(=O)N2CCN(Cc3ccncc3)CC2)c1)N1CCOCC1
InChIInChI=1S/C19H24N6O3/c26-18(23-9-11-28-12-10-23)17-13-21-25(15-17)19(27)24-7-5-22(6-8-24)14-16-1-3-20-4-2-16/h1-4,13,15H,5-12,14H2
InChIKeyIQWSVQZBKDDNGN-UHFFFAOYSA-N
MW384.44 g/mol
LogP0.54
Rot. Bonds3

About morpholin-4-yl-[1-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone

morpholin-4-yl-[1-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone (PubChem CID 118526485) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is morpholin-4-yl-[1-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[1-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone
PubChem CID118526485
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC Namemorpholin-4-yl-[1-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone
SMILESO=C(c1cnn(C(=O)N2CCN(Cc3ccncc3)CC2)c1)N1CCOCC1
InChIInChI=1S/C19H24N6O3/c26-18(23-9-11-28-12-10-23)17-13-21-25(15-17)19(27)24-7-5-22(6-8-24)14-16-1-3-20-4-2-16/h1-4,13,15H,5-12,14H2
InChIKeyIQWSVQZBKDDNGN-UHFFFAOYSA-N
XLogP0.54
TPSA83.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

morpholin-4-yl-[1-[4-(pyrimidin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone
CID 118526844
azetidin-1-yl-[1-[4-(pyrimidin-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone
CID 118526425
(4-chloropyrazol-1-yl)-[4-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 118526524
2-[4-(morpholine-4-carbonyl)pyrazol-1-yl]-2-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]ethenone
CID 123301378
(1-benzylpyrazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226790
[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone
CID 118526544
(1-phenylpyrazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226792
(4-methylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856605
(4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755805
1-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N-methylpyrazole-4-carboxamide
CID 118526909
(4-bromophenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 52988481
azetidin-1-yl-[1-[4-[[5-[1-[1-[4-(pyrimidin-4-ylmethyl)piperazine-1-carbonyl]pyrazole-4-carbonyl]azetidin-2-yl]-1,3-thiazol-2-yl]methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanone
CID 123862751

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[1-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone?
The IUPAC name of morpholin-4-yl-[1-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone (CID 118526485) is morpholin-4-yl-[1-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[1-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone?
The canonical SMILES for morpholin-4-yl-[1-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone is O=C(c1cnn(C(=O)N2CCN(Cc3ccncc3)CC2)c1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[1-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone?
The InChIKey is IQWSVQZBKDDNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3/c26-18(23-9-11-28-12-10-23)17-13-21-25(15-17)19(27)24-7-5-22(6-8-24)14-16-1-3-20-4-2-16/h1-4,13,15H,5-12,14H2.
What are the key properties of morpholin-4-yl-[1-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone?
morpholin-4-yl-[1-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone has a molecular weight of 384.44 g/mol, XLogP of 0.54, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[1-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone is sourced from PubChem (CID 118526485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).