N-(1-benzylpyrazol-3-yl)-3-(4-bromo-5-methylpyrazol-1-yl)propanamide

C17H18BrN5O — CID 19286226

IUPACN-(1-benzylpyrazol-3-yl)-3-(4-bromo-5-methylpyrazol-1-yl)propanamide
SMILESCc1c(Br)cnn1CCC(=O)Nc1ccn(Cc2ccccc2)n1
InChIInChI=1S/C17H18BrN5O/c1-13-15(18)11-19-23(13)10-8-17(24)20-16-7-9-22(21-16)12-14-5-3-2-4-6-14/h2-7,9,11H,8,10,12H2,1H3,(H,20,21,24)
InChIKeyWLBXAHGCTMLZDZ-UHFFFAOYSA-N
MW388.27 g/mol
LogP3.23
Rot. Bonds6

About N-(1-benzylpyrazol-3-yl)-3-(4-bromo-5-methylpyrazol-1-yl)propanamide

N-(1-benzylpyrazol-3-yl)-3-(4-bromo-5-methylpyrazol-1-yl)propanamide (PubChem CID 19286226) has the molecular formula C17H18BrN5O and a molecular weight of 388.27 g/mol. Its IUPAC name is N-(1-benzylpyrazol-3-yl)-3-(4-bromo-5-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-3-yl)-3-(4-bromo-5-methylpyrazol-1-yl)propanamide
PubChem CID19286226
Molecular FormulaC17H18BrN5O
Molecular Weight388.27 g/mol
Exact Mass387.07
IUPAC NameN-(1-benzylpyrazol-3-yl)-3-(4-bromo-5-methylpyrazol-1-yl)propanamide
SMILESCc1c(Br)cnn1CCC(=O)Nc1ccn(Cc2ccccc2)n1
InChIInChI=1S/C17H18BrN5O/c1-13-15(18)11-19-23(13)10-8-17(24)20-16-7-9-22(21-16)12-14-5-3-2-4-6-14/h2-7,9,11H,8,10,12H2,1H3,(H,20,21,24)
InChIKeyWLBXAHGCTMLZDZ-UHFFFAOYSA-N
XLogP3.23
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19552264
N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-bromo-5-methylpyrazol-1-yl)propanamide
CID 19347272
3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propanamide
CID 19541585
3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
CID 19411218
3-(4-iodo-5-methylpyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide
CID 19552110
3-(4-bromo-5-methylpyrazol-1-yl)-N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]propanamide
CID 19346593
N-(4-acetamidophenyl)-3-(4-bromo-5-methylpyrazol-1-yl)propanamide
CID 19570101
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19285441
N,N'-bis(1-benzylpyrazol-3-yl)-3-methylhexanediamide
CID 112837683
3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]propanamide
CID 19541580
3-(4-chloropyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]propanamide
CID 19539596
1-benzyl-4-bromo-5-methylpyrazole
CID 15129851

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-3-yl)-3-(4-bromo-5-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-(1-benzylpyrazol-3-yl)-3-(4-bromo-5-methylpyrazol-1-yl)propanamide (CID 19286226) is N-(1-benzylpyrazol-3-yl)-3-(4-bromo-5-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(1-benzylpyrazol-3-yl)-3-(4-bromo-5-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(1-benzylpyrazol-3-yl)-3-(4-bromo-5-methylpyrazol-1-yl)propanamide is Cc1c(Br)cnn1CCC(=O)Nc1ccn(Cc2ccccc2)n1.
What is the InChIKey of N-(1-benzylpyrazol-3-yl)-3-(4-bromo-5-methylpyrazol-1-yl)propanamide?
The InChIKey is WLBXAHGCTMLZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN5O/c1-13-15(18)11-19-23(13)10-8-17(24)20-16-7-9-22(21-16)12-14-5-3-2-4-6-14/h2-7,9,11H,8,10,12H2,1H3,(H,20,21,24).
What are the key properties of N-(1-benzylpyrazol-3-yl)-3-(4-bromo-5-methylpyrazol-1-yl)propanamide?
N-(1-benzylpyrazol-3-yl)-3-(4-bromo-5-methylpyrazol-1-yl)propanamide has a molecular weight of 388.27 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-3-yl)-3-(4-bromo-5-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 19286226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).