1-(4-bromophenyl)-N-(3-methoxypropyl)-5-methylpyrazole-4-carboxamide

C15H18BrN3O2 — CID 32651721

IUPAC1-(4-bromophenyl)-N-(3-methoxypropyl)-5-methylpyrazole-4-carboxamide
SMILESCOCCCNC(=O)c1cnn(-c2ccc(Br)cc2)c1C
InChIInChI=1S/C15H18BrN3O2/c1-11-14(15(20)17-8-3-9-21-2)10-18-19(11)13-6-4-12(16)5-7-13/h4-7,10H,3,8-9H2,1-2H3,(H,17,20)
InChIKeyQVVSEEXVJNKHRK-UHFFFAOYSA-N
MW352.23 g/mol
LogP2.71
Rot. Bonds6

About 1-(4-bromophenyl)-N-(3-methoxypropyl)-5-methylpyrazole-4-carboxamide

1-(4-bromophenyl)-N-(3-methoxypropyl)-5-methylpyrazole-4-carboxamide (PubChem CID 32651721) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(3-methoxypropyl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(3-methoxypropyl)-5-methylpyrazole-4-carboxamide
PubChem CID32651721
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name1-(4-bromophenyl)-N-(3-methoxypropyl)-5-methylpyrazole-4-carboxamide
SMILESCOCCCNC(=O)c1cnn(-c2ccc(Br)cc2)c1C
InChIInChI=1S/C15H18BrN3O2/c1-11-14(15(20)17-8-3-9-21-2)10-18-19(11)13-6-4-12(16)5-7-13/h4-7,10H,3,8-9H2,1-2H3,(H,17,20)
InChIKeyQVVSEEXVJNKHRK-UHFFFAOYSA-N
XLogP2.71
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromophenyl)-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-5-methylpyrazole-4-carboxamide
CID 60572248
1-(4-bromophenyl)-5-methyl-N-[2-(5-methylpyrimidin-2-yl)ethyl]pyrazole-4-carboxamide
CID 71907675
1-(4-bromophenyl)-N-(3-methoxypropyl)-2,5-dimethylpyrrole-3-carboxamide
CID 55532311
1-(4-bromophenyl)-5-methyl-N-prop-2-ynylpyrazole-4-carboxamide
CID 32693366
methyl 4-[[[1-(4-bromophenyl)-5-methylpyrazole-4-carbonyl]amino]methyl]benzoate
CID 46559311
1-(4-bromophenyl)-N-[4-(2-methoxyethoxy)phenyl]-5-methylpyrazole-4-carboxamide
CID 55658006
N-(3-butoxypropyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108791814
1-(4-bromophenyl)-5-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazole-4-carboxamide
CID 55803274
1-(4-bromophenyl)-5-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 32708087
1-(4-bromophenyl)-5-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride
CID 120830367
5-methyl-N-pentyl-1-phenylpyrazole-4-carboxamide
CID 34317853
1-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)-5-methylpyrazole-4-carboxamide
CID 78856717

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(3-methoxypropyl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-(3-methoxypropyl)-5-methylpyrazole-4-carboxamide (CID 32651721) is 1-(4-bromophenyl)-N-(3-methoxypropyl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-(3-methoxypropyl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-(3-methoxypropyl)-5-methylpyrazole-4-carboxamide is COCCCNC(=O)c1cnn(-c2ccc(Br)cc2)c1C.
What is the InChIKey of 1-(4-bromophenyl)-N-(3-methoxypropyl)-5-methylpyrazole-4-carboxamide?
The InChIKey is QVVSEEXVJNKHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-11-14(15(20)17-8-3-9-21-2)10-18-19(11)13-6-4-12(16)5-7-13/h4-7,10H,3,8-9H2,1-2H3,(H,17,20).
What are the key properties of 1-(4-bromophenyl)-N-(3-methoxypropyl)-5-methylpyrazole-4-carboxamide?
1-(4-bromophenyl)-N-(3-methoxypropyl)-5-methylpyrazole-4-carboxamide has a molecular weight of 352.23 g/mol, XLogP of 2.71, 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-(3-methoxypropyl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 32651721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).