3-bromo-5-methoxy-N-(1-phenylpyrazol-3-yl)-4-propoxybenzamide

C20H20BrN3O3 — CID 55537143

IUPAC3-bromo-5-methoxy-N-(1-phenylpyrazol-3-yl)-4-propoxybenzamide
SMILESCCCOc1c(Br)cc(C(=O)Nc2ccn(-c3ccccc3)n2)cc1OC
InChIInChI=1S/C20H20BrN3O3/c1-3-11-27-19-16(21)12-14(13-17(19)26-2)20(25)22-18-9-10-24(23-18)15-7-5-4-6-8-15/h4-10,12-13H,3,11H2,1-2H3,(H,22,23,25)
InChIKeyKUKOXXPWKUDYAC-UHFFFAOYSA-N
MW430.30 g/mol
LogP4.68
Rot. Bonds7

About 3-bromo-5-methoxy-N-(1-phenylpyrazol-3-yl)-4-propoxybenzamide

3-bromo-5-methoxy-N-(1-phenylpyrazol-3-yl)-4-propoxybenzamide (PubChem CID 55537143) has the molecular formula C20H20BrN3O3 and a molecular weight of 430.30 g/mol. Its IUPAC name is 3-bromo-5-methoxy-N-(1-phenylpyrazol-3-yl)-4-propoxybenzamide.

Molecular Properties

Compound Name3-bromo-5-methoxy-N-(1-phenylpyrazol-3-yl)-4-propoxybenzamide
PubChem CID55537143
Molecular FormulaC20H20BrN3O3
Molecular Weight430.30 g/mol
Exact Mass429.07
IUPAC Name3-bromo-5-methoxy-N-(1-phenylpyrazol-3-yl)-4-propoxybenzamide
SMILESCCCOc1c(Br)cc(C(=O)Nc2ccn(-c3ccccc3)n2)cc1OC
InChIInChI=1S/C20H20BrN3O3/c1-3-11-27-19-16(21)12-14(13-17(19)26-2)20(25)22-18-9-10-24(23-18)15-7-5-4-6-8-15/h4-10,12-13H,3,11H2,1-2H3,(H,22,23,25)
InChIKeyKUKOXXPWKUDYAC-UHFFFAOYSA-N
XLogP4.68
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.30
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-5-methoxy-N-phenyl-4-propoxybenzamide
CID 3931758
3-bromo-5-methoxy-4-propoxy-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 55812552
3-bromo-N-(4-bromophenyl)-5-methoxy-4-propoxybenzamide
CID 5213088
3-bromo-N-(3,4-dimethylphenyl)-5-methoxy-4-propoxybenzamide
CID 5030458
3-bromo-N,5-dimethoxy-4-propoxybenzamide
CID 51279320
3-bromo-5-methoxy-4-propoxybenzoic acid
CID 2414285
3-bromo-N-(4-tert-butylphenyl)-5-methoxy-4-propoxybenzamide
CID 7913907
3-bromo-5-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-propoxybenzamide
CID 40896926
3-bromo-5-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide
CID 18076244
3-bromo-5-methoxy-4-propoxy-N-(1,3-thiazol-2-yl)benzamide
CID 4797157
N-(6-amino-3-pyridinyl)-3-bromo-5-methoxy-4-propoxybenzamide;hydrochloride
CID 119515602
3-bromo-5-methoxy-N-[2-(piperidine-1-carbonyl)phenyl]-4-propoxybenzamide
CID 35275154

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methoxy-N-(1-phenylpyrazol-3-yl)-4-propoxybenzamide?
The IUPAC name of 3-bromo-5-methoxy-N-(1-phenylpyrazol-3-yl)-4-propoxybenzamide (CID 55537143) is 3-bromo-5-methoxy-N-(1-phenylpyrazol-3-yl)-4-propoxybenzamide.
What is the SMILES notation for 3-bromo-5-methoxy-N-(1-phenylpyrazol-3-yl)-4-propoxybenzamide?
The canonical SMILES for 3-bromo-5-methoxy-N-(1-phenylpyrazol-3-yl)-4-propoxybenzamide is CCCOc1c(Br)cc(C(=O)Nc2ccn(-c3ccccc3)n2)cc1OC.
What is the InChIKey of 3-bromo-5-methoxy-N-(1-phenylpyrazol-3-yl)-4-propoxybenzamide?
The InChIKey is KUKOXXPWKUDYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O3/c1-3-11-27-19-16(21)12-14(13-17(19)26-2)20(25)22-18-9-10-24(23-18)15-7-5-4-6-8-15/h4-10,12-13H,3,11H2,1-2H3,(H,22,23,25).
What are the key properties of 3-bromo-5-methoxy-N-(1-phenylpyrazol-3-yl)-4-propoxybenzamide?
3-bromo-5-methoxy-N-(1-phenylpyrazol-3-yl)-4-propoxybenzamide has a molecular weight of 430.30 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methoxy-N-(1-phenylpyrazol-3-yl)-4-propoxybenzamide is sourced from PubChem (CID 55537143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).