3-chloro-5-methoxy-N-[2-(2-methylpropyl)pyrazol-3-yl]-4-propoxybenzamide

C18H24ClN3O3 — CID 134014331

IUPAC3-chloro-5-methoxy-N-[2-(2-methylpropyl)pyrazol-3-yl]-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)Nc2ccnn2CC(C)C)cc1OC
InChIInChI=1S/C18H24ClN3O3/c1-5-8-25-17-14(19)9-13(10-15(17)24-4)18(23)21-16-6-7-20-22(16)11-12(2)3/h6-7,9-10,12H,5,8,11H2,1-4H3,(H,21,23)
InChIKeyPSINRCLGTZHTFP-UHFFFAOYSA-N
MW365.86 g/mol
LogP4.24
Rot. Bonds8

About 3-chloro-5-methoxy-N-[2-(2-methylpropyl)pyrazol-3-yl]-4-propoxybenzamide

3-chloro-5-methoxy-N-[2-(2-methylpropyl)pyrazol-3-yl]-4-propoxybenzamide (PubChem CID 134014331) has the molecular formula C18H24ClN3O3 and a molecular weight of 365.86 g/mol. Its IUPAC name is 3-chloro-5-methoxy-N-[2-(2-methylpropyl)pyrazol-3-yl]-4-propoxybenzamide.

Molecular Properties

Compound Name3-chloro-5-methoxy-N-[2-(2-methylpropyl)pyrazol-3-yl]-4-propoxybenzamide
PubChem CID134014331
Molecular FormulaC18H24ClN3O3
Molecular Weight365.86 g/mol
Exact Mass365.15
IUPAC Name3-chloro-5-methoxy-N-[2-(2-methylpropyl)pyrazol-3-yl]-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)Nc2ccnn2CC(C)C)cc1OC
InChIInChI=1S/C18H24ClN3O3/c1-5-8-25-17-14(19)9-13(10-15(17)24-4)18(23)21-16-6-7-20-22(16)11-12(2)3/h6-7,9-10,12H,5,8,11H2,1-4H3,(H,21,23)
InChIKeyPSINRCLGTZHTFP-UHFFFAOYSA-N
XLogP4.24
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methylpropyl)pyrazol-3-yl]-3,4-dipropoxybenzamide
CID 134014296
3-chloro-4,5-dimethoxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 30182001
N-(2-butan-2-ylpyrazol-3-yl)-3,5-dichloro-4-methoxybenzamide
CID 134049613
3-methoxy-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide
CID 35439410
3-chloro-N-(3,5-dimethoxyphenyl)-5-methoxy-4-propoxybenzamide
CID 9096742
3-chloro-N-(2-hydroxypropyl)-5-methoxy-4-propoxybenzamide
CID 78856166
3-chloro-5-methoxy-N-(2-methylphenyl)-4-propoxybenzamide
CID 4288200
3-chloro-5-methoxy-4-propoxy-N-propylbenzamide
CID 7333465
ethyl (2R,3R)-2-[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]-3-methylpentanoate
CID 95782335
N-(3-aminobutyl)-3-chloro-5-methoxy-4-propoxybenzamide;hydrochloride
CID 119498520
3-chloro-N-(2-chloro-6-methylphenyl)-5-methoxy-4-propoxybenzamide
CID 124506712
3-chloro-N-(3,4-dimethoxyphenyl)-5-ethoxy-4-propoxybenzamide
CID 26694948

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methoxy-N-[2-(2-methylpropyl)pyrazol-3-yl]-4-propoxybenzamide?
The IUPAC name of 3-chloro-5-methoxy-N-[2-(2-methylpropyl)pyrazol-3-yl]-4-propoxybenzamide (CID 134014331) is 3-chloro-5-methoxy-N-[2-(2-methylpropyl)pyrazol-3-yl]-4-propoxybenzamide.
What is the SMILES notation for 3-chloro-5-methoxy-N-[2-(2-methylpropyl)pyrazol-3-yl]-4-propoxybenzamide?
The canonical SMILES for 3-chloro-5-methoxy-N-[2-(2-methylpropyl)pyrazol-3-yl]-4-propoxybenzamide is CCCOc1c(Cl)cc(C(=O)Nc2ccnn2CC(C)C)cc1OC.
What is the InChIKey of 3-chloro-5-methoxy-N-[2-(2-methylpropyl)pyrazol-3-yl]-4-propoxybenzamide?
The InChIKey is PSINRCLGTZHTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O3/c1-5-8-25-17-14(19)9-13(10-15(17)24-4)18(23)21-16-6-7-20-22(16)11-12(2)3/h6-7,9-10,12H,5,8,11H2,1-4H3,(H,21,23).
What are the key properties of 3-chloro-5-methoxy-N-[2-(2-methylpropyl)pyrazol-3-yl]-4-propoxybenzamide?
3-chloro-5-methoxy-N-[2-(2-methylpropyl)pyrazol-3-yl]-4-propoxybenzamide has a molecular weight of 365.86 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methoxy-N-[2-(2-methylpropyl)pyrazol-3-yl]-4-propoxybenzamide is sourced from PubChem (CID 134014331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).