N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]acetamide

C18H31N5O — CID 91838166

IUPACN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]acetamide
SMILESCCn1nc(C)c(NC(=O)CN2CC(N3CCCCC3C)C2)c1C
InChIInChI=1S/C18H31N5O/c1-5-23-15(4)18(14(3)20-23)19-17(24)12-21-10-16(11-21)22-9-7-6-8-13(22)2/h13,16H,5-12H2,1-4H3,(H,19,24)
InChIKeyURTVVMBIZACFDC-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.02
Rot. Bonds5

About N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]acetamide

N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]acetamide (PubChem CID 91838166) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]acetamide
PubChem CID91838166
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC NameN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]acetamide
SMILESCCn1nc(C)c(NC(=O)CN2CC(N3CCCCC3C)C2)c1C
InChIInChI=1S/C18H31N5O/c1-5-23-15(4)18(14(3)20-23)19-17(24)12-21-10-16(11-21)22-9-7-6-8-13(22)2/h13,16H,5-12H2,1-4H3,(H,19,24)
InChIKeyURTVVMBIZACFDC-UHFFFAOYSA-N
XLogP2.02
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)acetamide
CID 46977003
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CID 133135484
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)cyclopentanecarboxamide
CID 3564038
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]acetamide
CID 124751686
N-(4-fluoro-2-methylphenyl)-2-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]acetamide
CID 124751259
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3S)-3-(pyridine-2-carbonyl)piperidin-1-yl]acetamide
CID 124752283
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[3-(pyridine-2-carbonyl)piperidin-1-yl]acetamide
CID 91832837
2-(2-methylpiperidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 51223569
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
CID 95124791
2-amino-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide;hydrochloride
CID 130639181
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 71866668
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]acetamide?
The IUPAC name of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]acetamide (CID 91838166) is N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]acetamide.
What is the SMILES notation for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]acetamide?
The canonical SMILES for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]acetamide is CCn1nc(C)c(NC(=O)CN2CC(N3CCCCC3C)C2)c1C.
What is the InChIKey of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]acetamide?
The InChIKey is URTVVMBIZACFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O/c1-5-23-15(4)18(14(3)20-23)19-17(24)12-21-10-16(11-21)22-9-7-6-8-13(22)2/h13,16H,5-12H2,1-4H3,(H,19,24).
What are the key properties of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]acetamide?
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]acetamide has a molecular weight of 333.48 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]acetamide is sourced from PubChem (CID 91838166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).