3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-methoxyphenyl)butanamide

C18H22ClN3O3 — CID 6459784

IUPAC3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-methoxyphenyl)butanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CC(C)n1nc(C)c(C(C)=O)c1C
InChIInChI=1S/C18H22ClN3O3/c1-10(22-12(3)18(13(4)23)11(2)21-22)8-17(24)20-15-9-14(19)6-7-16(15)25-5/h6-7,9-10H,8H2,1-5H3,(H,20,24)
InChIKeyYCECVZKHPCSEEU-UHFFFAOYSA-N
MW363.85 g/mol
LogP3.95
Rot. Bonds6

About 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-methoxyphenyl)butanamide

3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-methoxyphenyl)butanamide (PubChem CID 6459784) has the molecular formula C18H22ClN3O3 and a molecular weight of 363.85 g/mol. Its IUPAC name is 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-methoxyphenyl)butanamide.

Molecular Properties

Compound Name3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-methoxyphenyl)butanamide
PubChem CID6459784
Molecular FormulaC18H22ClN3O3
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC Name3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-methoxyphenyl)butanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CC(C)n1nc(C)c(C(C)=O)c1C
InChIInChI=1S/C18H22ClN3O3/c1-10(22-12(3)18(13(4)23)11(2)21-22)8-17(24)20-15-9-14(19)6-7-16(15)25-5/h6-7,9-10H,8H2,1-5H3,(H,20,24)
InChIKeyYCECVZKHPCSEEU-UHFFFAOYSA-N
XLogP3.95
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 679804
5-chloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 4293116
5-chloro-N-[2-(2-methoxyphenyl)ethyl]-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 17558506
1-(5-chloro-2-methoxyphenyl)-3-propyl-1,5,6,7-tetrahydro-4H-indazol-4-one
CID 713301
5-chloro-N-(2-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 2047123
N'-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]urea
CID 971950
N-(5-chloro-2-methoxyphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetamide
CID 1129711
1-benzyl-5-chloro-N-(2-methoxy-5-methylphenyl)-3-methylpyrazole-4-carboxamide
CID 2090618
1-benzyl-5-chloro-3-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
CID 2118839
5-chloro-N-(3-chloro-4-methoxyphenyl)-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 2161257
1-benzyl-5-chloro-N-(4-ethoxyphenyl)-3-methylpyrazole-4-carboxamide
CID 2489518
N-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethyl-1H-pyrazol-1-yl)propanamide
CID 8721994

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-methoxyphenyl)butanamide?
The IUPAC name of 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-methoxyphenyl)butanamide (CID 6459784) is 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-methoxyphenyl)butanamide.
What is the SMILES notation for 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-methoxyphenyl)butanamide?
The canonical SMILES for 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-methoxyphenyl)butanamide is COc1ccc(Cl)cc1NC(=O)CC(C)n1nc(C)c(C(C)=O)c1C.
What is the InChIKey of 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-methoxyphenyl)butanamide?
The InChIKey is YCECVZKHPCSEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3/c1-10(22-12(3)18(13(4)23)11(2)21-22)8-17(24)20-15-9-14(19)6-7-16(15)25-5/h6-7,9-10H,8H2,1-5H3,(H,20,24).
What are the key properties of 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-methoxyphenyl)butanamide?
3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-methoxyphenyl)butanamide has a molecular weight of 363.85 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-methoxyphenyl)butanamide is sourced from PubChem (CID 6459784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).