N-(1-benzylpyrazol-3-yl)-2-(4-bromopyrazol-1-yl)propanamide

C16H16BrN5O — CID 19286317

IUPACN-(1-benzylpyrazol-3-yl)-2-(4-bromopyrazol-1-yl)propanamide
SMILESCC(C(=O)Nc1ccn(Cc2ccccc2)n1)n1cc(Br)cn1
InChIInChI=1S/C16H16BrN5O/c1-12(22-11-14(17)9-18-22)16(23)19-15-7-8-21(20-15)10-13-5-3-2-4-6-13/h2-9,11-12H,10H2,1H3,(H,19,20,23)
InChIKeyDWYFFPSGJBFFKA-UHFFFAOYSA-N
MW374.24 g/mol
LogP3.09
Rot. Bonds5

About N-(1-benzylpyrazol-3-yl)-2-(4-bromopyrazol-1-yl)propanamide

N-(1-benzylpyrazol-3-yl)-2-(4-bromopyrazol-1-yl)propanamide (PubChem CID 19286317) has the molecular formula C16H16BrN5O and a molecular weight of 374.24 g/mol. Its IUPAC name is N-(1-benzylpyrazol-3-yl)-2-(4-bromopyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-3-yl)-2-(4-bromopyrazol-1-yl)propanamide
PubChem CID19286317
Molecular FormulaC16H16BrN5O
Molecular Weight374.24 g/mol
Exact Mass373.05
IUPAC NameN-(1-benzylpyrazol-3-yl)-2-(4-bromopyrazol-1-yl)propanamide
SMILESCC(C(=O)Nc1ccn(Cc2ccccc2)n1)n1cc(Br)cn1
InChIInChI=1S/C16H16BrN5O/c1-12(22-11-14(17)9-18-22)16(23)19-15-7-8-21(20-15)10-13-5-3-2-4-6-13/h2-9,11-12H,10H2,1H3,(H,19,20,23)
InChIKeyDWYFFPSGJBFFKA-UHFFFAOYSA-N
XLogP3.09
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.24
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromopyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]butanamide
CID 19551410
N-(2-benzylphenyl)-2-(4-bromopyrazol-1-yl)propanamide
CID 45153767
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-bromopyrazol-1-yl)propanamide
CID 19284399
2-(4-bromopyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propanamide
CID 19537649
2-(4-bromopyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]propanamide
CID 19537656
N-(1-benzylpyrazol-3-yl)-5-[(1S)-1-(4-bromopyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 51388461
2-(4-bromopyrazol-1-yl)-N-[(2-chlorophenyl)methyl]propanamide
CID 56725410
2-(4-bromopyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19285191
N-(1-benzyl-1,2,4-triazol-3-yl)-2-(4-chloropyrazol-1-yl)propanamide
CID 19538593
(2S)-N-(1-benzylpyrazol-3-yl)-3-cyclopentyl-2-(4-methylsulfonylpyrazol-1-yl)propanamide
CID 67313972
2-(4-bromo-5-methylpyrazol-1-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19535553
N,N'-bis(1-benzylpyrazol-3-yl)-3-methylhexanediamide
CID 112837683

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-3-yl)-2-(4-bromopyrazol-1-yl)propanamide?
The IUPAC name of N-(1-benzylpyrazol-3-yl)-2-(4-bromopyrazol-1-yl)propanamide (CID 19286317) is N-(1-benzylpyrazol-3-yl)-2-(4-bromopyrazol-1-yl)propanamide.
What is the SMILES notation for N-(1-benzylpyrazol-3-yl)-2-(4-bromopyrazol-1-yl)propanamide?
The canonical SMILES for N-(1-benzylpyrazol-3-yl)-2-(4-bromopyrazol-1-yl)propanamide is CC(C(=O)Nc1ccn(Cc2ccccc2)n1)n1cc(Br)cn1.
What is the InChIKey of N-(1-benzylpyrazol-3-yl)-2-(4-bromopyrazol-1-yl)propanamide?
The InChIKey is DWYFFPSGJBFFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN5O/c1-12(22-11-14(17)9-18-22)16(23)19-15-7-8-21(20-15)10-13-5-3-2-4-6-13/h2-9,11-12H,10H2,1H3,(H,19,20,23).
What are the key properties of N-(1-benzylpyrazol-3-yl)-2-(4-bromopyrazol-1-yl)propanamide?
N-(1-benzylpyrazol-3-yl)-2-(4-bromopyrazol-1-yl)propanamide has a molecular weight of 374.24 g/mol, XLogP of 3.09, 5 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)-2-(4-bromopyrazol-1-yl)propanamide is sourced from PubChem (CID 19286317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).