1-(4-bromophenyl)-N-(2-propoxyphenyl)pyrazole-4-carboxamide

C19H18BrN3O2 — CID 55771196

IUPAC1-(4-bromophenyl)-N-(2-propoxyphenyl)pyrazole-4-carboxamide
SMILESCCCOc1ccccc1NC(=O)c1cnn(-c2ccc(Br)cc2)c1
InChIInChI=1S/C19H18BrN3O2/c1-2-11-25-18-6-4-3-5-17(18)22-19(24)14-12-21-23(13-14)16-9-7-15(20)8-10-16/h3-10,12-13H,2,11H2,1H3,(H,22,24)
InChIKeyCPBGJTLRYAEYIM-UHFFFAOYSA-N
MW400.28 g/mol
LogP4.68
Rot. Bonds6

About 1-(4-bromophenyl)-N-(2-propoxyphenyl)pyrazole-4-carboxamide

1-(4-bromophenyl)-N-(2-propoxyphenyl)pyrazole-4-carboxamide (PubChem CID 55771196) has the molecular formula C19H18BrN3O2 and a molecular weight of 400.28 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(2-propoxyphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(2-propoxyphenyl)pyrazole-4-carboxamide
PubChem CID55771196
Molecular FormulaC19H18BrN3O2
Molecular Weight400.28 g/mol
Exact Mass399.06
IUPAC Name1-(4-bromophenyl)-N-(2-propoxyphenyl)pyrazole-4-carboxamide
SMILESCCCOc1ccccc1NC(=O)c1cnn(-c2ccc(Br)cc2)c1
InChIInChI=1S/C19H18BrN3O2/c1-2-11-25-18-6-4-3-5-17(18)22-19(24)14-12-21-23(13-14)16-9-7-15(20)8-10-16/h3-10,12-13H,2,11H2,1H3,(H,22,24)
InChIKeyCPBGJTLRYAEYIM-UHFFFAOYSA-N
XLogP4.68
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.28
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)pyrazole-4-carboxamide
CID 55770669
1-(4-bromophenyl)-N-(2-chloro-4-methylphenyl)pyrazole-4-carboxamide
CID 50772769
4-(bromomethyl)-N-(2-propoxyphenyl)benzamide
CID 102851101
N-(4-bromo-2-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 50772677
1-(4-bromophenyl)-N-hexylpyrazole-4-carboxamide
CID 55771523
1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide
CID 17087319
4-(4-bromopyrazol-1-yl)-N-[2-(methoxymethyl)phenyl]benzamide
CID 55780337
3,4,5-triethoxy-N-(2-propoxyphenyl)benzamide
CID 7941942
1-(2-propoxyphenyl)pyrazole-4-carboxylic acid
CID 82365555
1-(4-bromophenyl)-N-[2-(ethylamino)ethyl]pyrazole-4-carboxamide;hydrochloride
CID 119508703
3-bromo-N-[2-(2-ethoxyethoxy)phenyl]benzamide
CID 54790974
5-methyl-N-(2-propoxyphenyl)pyrazine-2-carboxamide
CID 17446893

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(2-propoxyphenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-(2-propoxyphenyl)pyrazole-4-carboxamide (CID 55771196) is 1-(4-bromophenyl)-N-(2-propoxyphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-(2-propoxyphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-(2-propoxyphenyl)pyrazole-4-carboxamide is CCCOc1ccccc1NC(=O)c1cnn(-c2ccc(Br)cc2)c1.
What is the InChIKey of 1-(4-bromophenyl)-N-(2-propoxyphenyl)pyrazole-4-carboxamide?
The InChIKey is CPBGJTLRYAEYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O2/c1-2-11-25-18-6-4-3-5-17(18)22-19(24)14-12-21-23(13-14)16-9-7-15(20)8-10-16/h3-10,12-13H,2,11H2,1H3,(H,22,24).
What are the key properties of 1-(4-bromophenyl)-N-(2-propoxyphenyl)pyrazole-4-carboxamide?
1-(4-bromophenyl)-N-(2-propoxyphenyl)pyrazole-4-carboxamide has a molecular weight of 400.28 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(2-propoxyphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 55771196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).