1-(3-chlorophenyl)-N-(2-methoxyethyl)-5-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide

C18H24ClN3O2 — CID 134062538

IUPAC1-(3-chlorophenyl)-N-(2-methoxyethyl)-5-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCOCCN(CC(C)C)C(=O)c1cnn(-c2cccc(Cl)c2)c1C
InChIInChI=1S/C18H24ClN3O2/c1-13(2)12-21(8-9-24-4)18(23)17-11-20-22(14(17)3)16-7-5-6-15(19)10-16/h5-7,10-11,13H,8-9,12H2,1-4H3
InChIKeyJGGUUEJAMXKXGY-UHFFFAOYSA-N
MW349.86 g/mol
LogP3.58
Rot. Bonds7

About 1-(3-chlorophenyl)-N-(2-methoxyethyl)-5-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide

1-(3-chlorophenyl)-N-(2-methoxyethyl)-5-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide (PubChem CID 134062538) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(2-methoxyethyl)-5-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(2-methoxyethyl)-5-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide
PubChem CID134062538
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC Name1-(3-chlorophenyl)-N-(2-methoxyethyl)-5-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCOCCN(CC(C)C)C(=O)c1cnn(-c2cccc(Cl)c2)c1C
InChIInChI=1S/C18H24ClN3O2/c1-13(2)12-21(8-9-24-4)18(23)17-11-20-22(14(17)3)16-7-5-6-15(19)10-16/h5-7,10-11,13H,8-9,12H2,1-4H3
InChIKeyJGGUUEJAMXKXGY-UHFFFAOYSA-N
XLogP3.58
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-N,5-dimethyl-N-(2-methylpropyl)pyrazole-4-carboxamide
CID 134059030
1-(3-chlorophenyl)-N-(2-hydroxypropyl)-5-methylpyrazole-4-carboxamide
CID 78855753
2-[[1-(3-bromophenyl)-5-methylpyrazole-4-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 119192679
2-[[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]-methylamino]propanoic acid
CID 119209354
N-(3-amino-2-methylpropyl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 119997822
1-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-2-ethylbutan-1-one
CID 134561020
2-[[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]amino]butanoic acid
CID 119223906
3-amino-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)benzamide
CID 61105794
2-amino-5-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114922590
methyl 2-[[1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]acetate
CID 52570392
2-[4-[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55581996
N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide;hydrochloride
CID 119598750

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(2-methoxyethyl)-5-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(2-methoxyethyl)-5-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide (CID 134062538) is 1-(3-chlorophenyl)-N-(2-methoxyethyl)-5-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(2-methoxyethyl)-5-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(2-methoxyethyl)-5-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide is COCCN(CC(C)C)C(=O)c1cnn(-c2cccc(Cl)c2)c1C.
What is the InChIKey of 1-(3-chlorophenyl)-N-(2-methoxyethyl)-5-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide?
The InChIKey is JGGUUEJAMXKXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O2/c1-13(2)12-21(8-9-24-4)18(23)17-11-20-22(14(17)3)16-7-5-6-15(19)10-16/h5-7,10-11,13H,8-9,12H2,1-4H3.
What are the key properties of 1-(3-chlorophenyl)-N-(2-methoxyethyl)-5-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide?
1-(3-chlorophenyl)-N-(2-methoxyethyl)-5-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide has a molecular weight of 349.86 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(2-methoxyethyl)-5-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 134062538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).