2-(4-bromopyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]butanamide

C17H17BrClN5O — CID 19551410

IUPAC2-(4-bromopyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]butanamide
SMILESCCC(C(=O)Nc1ccn(Cc2cccc(Cl)c2)n1)n1cc(Br)cn1
InChIInChI=1S/C17H17BrClN5O/c1-2-15(24-11-13(18)9-20-24)17(25)21-16-6-7-23(22-16)10-12-4-3-5-14(19)8-12/h3-9,11,15H,2,10H2,1H3,(H,21,22,25)
InChIKeyJXGXFRRUKVIZTF-UHFFFAOYSA-N
MW422.71 g/mol
LogP4.13
Rot. Bonds6

About 2-(4-bromopyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]butanamide

2-(4-bromopyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]butanamide (PubChem CID 19551410) has the molecular formula C17H17BrClN5O and a molecular weight of 422.71 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]butanamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]butanamide
PubChem CID19551410
Molecular FormulaC17H17BrClN5O
Molecular Weight422.71 g/mol
Exact Mass421.03
IUPAC Name2-(4-bromopyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]butanamide
SMILESCCC(C(=O)Nc1ccn(Cc2cccc(Cl)c2)n1)n1cc(Br)cn1
InChIInChI=1S/C17H17BrClN5O/c1-2-15(24-11-13(18)9-20-24)17(25)21-16-6-7-23(22-16)10-12-4-3-5-14(19)8-12/h3-9,11,15H,2,10H2,1H3,(H,21,22,25)
InChIKeyJXGXFRRUKVIZTF-UHFFFAOYSA-N
XLogP4.13
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.71
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromopyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]butanamide
CID 19551446
N-(1-benzylpyrazol-3-yl)-2-(4-bromopyrazol-1-yl)propanamide
CID 19286317
2-(4-chloropyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]butanamide
CID 19285214
2-(4-bromopyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]butanamide
CID 19551422
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-chloropyrazol-1-yl)acetamide
CID 19524979
4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19403078
4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 19475126
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]butanamide
CID 19549578
2-(4-bromopyrazol-1-yl)-N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]butanamide
CID 19392847
2-(4-bromopyrazol-1-yl)-N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]butanamide
CID 19551431
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-phenylpropanamide
CID 19403070
3-(4-chloropyrazol-1-yl)-2-methyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]propanamide
CID 19570464

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]butanamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]butanamide (CID 19551410) is 2-(4-bromopyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]butanamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]butanamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]butanamide is CCC(C(=O)Nc1ccn(Cc2cccc(Cl)c2)n1)n1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]butanamide?
The InChIKey is JXGXFRRUKVIZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClN5O/c1-2-15(24-11-13(18)9-20-24)17(25)21-16-6-7-23(22-16)10-12-4-3-5-14(19)8-12/h3-9,11,15H,2,10H2,1H3,(H,21,22,25).
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]butanamide?
2-(4-bromopyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]butanamide has a molecular weight of 422.71 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]butanamide is sourced from PubChem (CID 19551410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).