2-(2-chlorophenyl)-2-hydroxy-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide

C16H18ClN3O2 — CID 91760765

IUPAC2-(2-chlorophenyl)-2-hydroxy-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
SMILESCN(Cc1n[nH]c2c1CCC2)C(=O)C(O)c1ccccc1Cl
InChIInChI=1S/C16H18ClN3O2/c1-20(9-14-11-6-4-8-13(11)18-19-14)16(22)15(21)10-5-2-3-7-12(10)17/h2-3,5,7,15,21H,4,6,8-9H2,1H3,(H,18,19)
InChIKeyLYHMKMHYGSMGRT-UHFFFAOYSA-N
MW319.79 g/mol
LogP2.24
Rot. Bonds4

About 2-(2-chlorophenyl)-2-hydroxy-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide

2-(2-chlorophenyl)-2-hydroxy-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide (PubChem CID 91760765) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-hydroxy-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-hydroxy-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
PubChem CID91760765
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name2-(2-chlorophenyl)-2-hydroxy-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
SMILESCN(Cc1n[nH]c2c1CCC2)C(=O)C(O)c1ccccc1Cl
InChIInChI=1S/C16H18ClN3O2/c1-20(9-14-11-6-4-8-13(11)18-19-14)16(22)15(21)10-5-2-3-7-12(10)17/h2-3,5,7,15,21H,4,6,8-9H2,1H3,(H,18,19)
InChIKeyLYHMKMHYGSMGRT-UHFFFAOYSA-N
XLogP2.24
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-methyl-N-(2-propan-2-ylphenyl)-N'-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)butanediamide
CID 46987826
2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide
CID 50967991
2-(4-chloropyrazol-1-yl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methylpropanamide
CID 50959443
N-methyl-2-(3-phenylpyrrolidin-1-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
CID 91786408
2-(3-methoxyanilino)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)butanamide
CID 50951272
4-chloro-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1H-pyrrole-2-carboxamide
CID 119058792
N-methyl-3-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)propanamide
CID 90650169
2-[(3S)-3-(2-chlorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide
CID 125157100
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 50953300
3-[(1S)-1-(4-fluorophenyl)ethyl]-1-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-methylurea
CID 126439991
(1S,3S,4S)-3-amino-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-4-hydroxy-N-methylcyclopentane-1-carboxamide
CID 154818211
1-(3,4-dihydro-2H-quinolin-1-yl)-3-[methyl(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)amino]propan-1-one
CID 50958802

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-hydroxy-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide?
The IUPAC name of 2-(2-chlorophenyl)-2-hydroxy-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide (CID 91760765) is 2-(2-chlorophenyl)-2-hydroxy-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-2-hydroxy-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-2-hydroxy-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide is CN(Cc1n[nH]c2c1CCC2)C(=O)C(O)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-2-hydroxy-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide?
The InChIKey is LYHMKMHYGSMGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-20(9-14-11-6-4-8-13(11)18-19-14)16(22)15(21)10-5-2-3-7-12(10)17/h2-3,5,7,15,21H,4,6,8-9H2,1H3,(H,18,19).
What are the key properties of 2-(2-chlorophenyl)-2-hydroxy-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide?
2-(2-chlorophenyl)-2-hydroxy-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide has a molecular weight of 319.79 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-hydroxy-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide is sourced from PubChem (CID 91760765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).