2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]acetamide

C18H23ClN4O2 — CID 19525218

IUPAC2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]acetamide
SMILESCc1nn(CC(=O)Nc2cccc(CN3CCOCC3)c2)c(C)c1Cl
InChIInChI=1S/C18H23ClN4O2/c1-13-18(19)14(2)23(21-13)12-17(24)20-16-5-3-4-15(10-16)11-22-6-8-25-9-7-22/h3-5,10H,6-9,11-12H2,1-2H3,(H,20,24)
InChIKeyBMOBIDJXJBOZGV-UHFFFAOYSA-N
MW362.86 g/mol
LogP2.62
Rot. Bonds5

About 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]acetamide

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]acetamide (PubChem CID 19525218) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]acetamide
PubChem CID19525218
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]acetamide
SMILESCc1nn(CC(=O)Nc2cccc(CN3CCOCC3)c2)c(C)c1Cl
InChIInChI=1S/C18H23ClN4O2/c1-13-18(19)14(2)23(21-13)12-17(24)20-16-5-3-4-15(10-16)11-22-6-8-25-9-7-22/h3-5,10H,6-9,11-12H2,1-2H3,(H,20,24)
InChIKeyBMOBIDJXJBOZGV-UHFFFAOYSA-N
XLogP2.62
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]acetamide
CID 19525235
2-(3-methylpyrazol-1-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]acetamide
CID 19516890
2-[3-methyl-4-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]-N-[3-(morpholin-4-ylmethyl)phenyl]acetamide
CID 19485391
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 19525315
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 19525215
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 55923829
2-(2-methylindol-1-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]acetamide
CID 47776662
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]acetamide
CID 19525394
4-bromo-1,3-dimethyl-N-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-5-carboxamide
CID 998824
N-[3-(aminomethyl)phenyl]-2-morpholin-4-ylacetamide
CID 16779234
N-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide
CID 19526817
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide
CID 19535765

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]acetamide (CID 19525218) is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]acetamide is Cc1nn(CC(=O)Nc2cccc(CN3CCOCC3)c2)c(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]acetamide?
The InChIKey is BMOBIDJXJBOZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O2/c1-13-18(19)14(2)23(21-13)12-17(24)20-16-5-3-4-15(10-16)11-22-6-8-25-9-7-22/h3-5,10H,6-9,11-12H2,1-2H3,(H,20,24).
What are the key properties of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]acetamide?
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]acetamide has a molecular weight of 362.86 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 19525218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).