2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide

C18H22ClN3O2 — CID 111445786

IUPAC2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide
SMILESCc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NCC1(O)CCC1
InChIInChI=1S/C18H22ClN3O2/c1-12-16(10-17(23)20-11-18(24)8-3-9-18)13(2)22(21-12)15-6-4-14(19)5-7-15/h4-7,24H,3,8-11H2,1-2H3,(H,20,23)
InChIKeyTVXGLYKBGDIDDJ-UHFFFAOYSA-N
MW347.85 g/mol
LogP2.72
Rot. Bonds5

About 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide

2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide (PubChem CID 111445786) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide
PubChem CID111445786
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC Name2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide
SMILESCc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NCC1(O)CCC1
InChIInChI=1S/C18H22ClN3O2/c1-12-16(10-17(23)20-11-18(24)8-3-9-18)13(2)22(21-12)15-6-4-14(19)5-7-15/h4-7,24H,3,8-11H2,1-2H3,(H,20,23)
InChIKeyTVXGLYKBGDIDDJ-UHFFFAOYSA-N
XLogP2.72
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-hydroxyethyl)acetamide
CID 78884828
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(methylamino)ethyl]acetamide
CID 119502495
N-(3-aminopropyl)-2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 119407249
N-[[1-(dimethylamino)cyclopentyl]methyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 55912090
2-[2-[[2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]ethylsulfanyl]acetic acid
CID 119241593
2-[[2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]propanoic acid
CID 119225106
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(1-hydroxypropan-2-yl)acetamide
CID 78884902
N-(5-chloro-2-hydroxyphenyl)-2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 56581409
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-ethylphenyl)acetamide
CID 55736830
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 55797450
N-[2-[[2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]ethyl]pyridine-3-carboxamide
CID 55765954
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(4-fluorophenoxy)ethyl]acetamide
CID 55760355

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide?
The IUPAC name of 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide (CID 111445786) is 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide is Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NCC1(O)CCC1.
What is the InChIKey of 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide?
The InChIKey is TVXGLYKBGDIDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c1-12-16(10-17(23)20-11-18(24)8-3-9-18)13(2)22(21-12)15-6-4-14(19)5-7-15/h4-7,24H,3,8-11H2,1-2H3,(H,20,23).
What are the key properties of 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide?
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide has a molecular weight of 347.85 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide is sourced from PubChem (CID 111445786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).