3-chloro-N-[3-(3-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]benzamide

C21H22ClN3O2 — CID 42686982

IUPAC3-chloro-N-[3-(3-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]benzamide
SMILESCOc1cccc(-c2n[nH]c(CC(C)C)c2NC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C21H22ClN3O2/c1-13(2)10-18-20(23-21(26)15-7-4-8-16(22)11-15)19(25-24-18)14-6-5-9-17(12-14)27-3/h4-9,11-13H,10H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyJCNJMFQAFNQILD-UHFFFAOYSA-N
MW383.88 g/mol
LogP5.19
Rot. Bonds6

About 3-chloro-N-[3-(3-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]benzamide

3-chloro-N-[3-(3-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]benzamide (PubChem CID 42686982) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is 3-chloro-N-[3-(3-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[3-(3-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]benzamide
PubChem CID42686982
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC Name3-chloro-N-[3-(3-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]benzamide
SMILESCOc1cccc(-c2n[nH]c(CC(C)C)c2NC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C21H22ClN3O2/c1-13(2)10-18-20(23-21(26)15-7-4-8-16(22)11-15)19(25-24-18)14-6-5-9-17(12-14)27-3/h4-9,11-13H,10H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyJCNJMFQAFNQILD-UHFFFAOYSA-N
XLogP5.19
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.88
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3,4-dimethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-3-methoxybenzamide
CID 42685722
N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-3-methylbutanamide
CID 42686897
N-[3-(4-chlorophenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-methylpropanamide
CID 42874047
N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-2-fluorobenzamide
CID 42686892
N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-2,2-dimethylpropanamide
CID 42686883
N-[3-(3,4-dimethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide
CID 42873998
N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-3,5-difluorobenzamide
CID 42686102
N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-methylpropanamide
CID 42686082
N-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]-3-methoxybenzamide
CID 42687656
2-(3-methoxyphenyl)-N-[3-(2-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]acetamide
CID 83280532
3-chloro-N-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]benzamide
CID 42686831
N-[3-(3,4-dimethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-methoxyacetamide
CID 42685728

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(3-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]benzamide?
The IUPAC name of 3-chloro-N-[3-(3-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]benzamide (CID 42686982) is 3-chloro-N-[3-(3-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[3-(3-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]benzamide?
The canonical SMILES for 3-chloro-N-[3-(3-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]benzamide is COc1cccc(-c2n[nH]c(CC(C)C)c2NC(=O)c2cccc(Cl)c2)c1.
What is the InChIKey of 3-chloro-N-[3-(3-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]benzamide?
The InChIKey is JCNJMFQAFNQILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c1-13(2)10-18-20(23-21(26)15-7-4-8-16(22)11-15)19(25-24-18)14-6-5-9-17(12-14)27-3/h4-9,11-13H,10H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of 3-chloro-N-[3-(3-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]benzamide?
3-chloro-N-[3-(3-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]benzamide has a molecular weight of 383.88 g/mol, XLogP of 5.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(3-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]benzamide is sourced from PubChem (CID 42686982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).