azetidin-1-yl-[1-[4-(pyrimidin-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone

C17H21N7O2 — CID 118526425

IUPACazetidin-1-yl-[1-[4-(pyrimidin-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone
SMILESO=C(c1cnn(C(=O)N2CCN(Cc3cncnc3)CC2)c1)N1CCC1
InChIInChI=1S/C17H21N7O2/c25-16(22-2-1-3-22)15-10-20-24(12-15)17(26)23-6-4-21(5-7-23)11-14-8-18-13-19-9-14/h8-10,12-13H,1-7,11H2
InChIKeySYTOKBHFDMYGPT-UHFFFAOYSA-N
MW355.40 g/mol
LogP0.30
Rot. Bonds3

About azetidin-1-yl-[1-[4-(pyrimidin-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone

azetidin-1-yl-[1-[4-(pyrimidin-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone (PubChem CID 118526425) has the molecular formula C17H21N7O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is azetidin-1-yl-[1-[4-(pyrimidin-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[1-[4-(pyrimidin-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone
PubChem CID118526425
Molecular FormulaC17H21N7O2
Molecular Weight355.40 g/mol
Exact Mass355.18
IUPAC Nameazetidin-1-yl-[1-[4-(pyrimidin-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone
SMILESO=C(c1cnn(C(=O)N2CCN(Cc3cncnc3)CC2)c1)N1CCC1
InChIInChI=1S/C17H21N7O2/c25-16(22-2-1-3-22)15-10-20-24(12-15)17(26)23-6-4-21(5-7-23)11-14-8-18-13-19-9-14/h8-10,12-13H,1-7,11H2
InChIKeySYTOKBHFDMYGPT-UHFFFAOYSA-N
XLogP0.30
TPSA87.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4-methylpyrazol-1-yl)-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]methanone
CID 130187588
morpholin-4-yl-[1-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone
CID 118526485
2-[4-(morpholine-4-carbonyl)pyrazol-1-yl]-2-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]ethenone
CID 123301378
morpholin-4-yl-[1-[4-(pyrimidin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone
CID 118526844
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
(4-benzylpiperazin-1-yl)-pyrimidin-5-ylmethanone
CID 110853065
1-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N-methylpyrazole-4-carboxamide
CID 118526909
[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
pyrrolidin-1-yl-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanone
CID 139417479
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone
CID 130187615

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[1-[4-(pyrimidin-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone?
The IUPAC name of azetidin-1-yl-[1-[4-(pyrimidin-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone (CID 118526425) is azetidin-1-yl-[1-[4-(pyrimidin-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone.
What is the SMILES notation for azetidin-1-yl-[1-[4-(pyrimidin-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone?
The canonical SMILES for azetidin-1-yl-[1-[4-(pyrimidin-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone is O=C(c1cnn(C(=O)N2CCN(Cc3cncnc3)CC2)c1)N1CCC1.
What is the InChIKey of azetidin-1-yl-[1-[4-(pyrimidin-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone?
The InChIKey is SYTOKBHFDMYGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O2/c25-16(22-2-1-3-22)15-10-20-24(12-15)17(26)23-6-4-21(5-7-23)11-14-8-18-13-19-9-14/h8-10,12-13H,1-7,11H2.
What are the key properties of azetidin-1-yl-[1-[4-(pyrimidin-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone?
azetidin-1-yl-[1-[4-(pyrimidin-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone has a molecular weight of 355.40 g/mol, XLogP of 0.30, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[1-[4-(pyrimidin-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone is sourced from PubChem (CID 118526425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).