N-[(3-bromophenyl)methyl]-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide

C17H13BrClN3O — CID 46920544

IUPACN-[(3-bromophenyl)methyl]-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1cccc(Br)c1)c1cc(-c2cccc(Cl)c2)n[nH]1
InChIInChI=1S/C17H13BrClN3O/c18-13-5-1-3-11(7-13)10-20-17(23)16-9-15(21-22-16)12-4-2-6-14(19)8-12/h1-9H,10H2,(H,20,23)(H,21,22)
InChIKeyWZLZHZVAQBEAPF-UHFFFAOYSA-N
MW390.67 g/mol
LogP4.42
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide

N-[(3-bromophenyl)methyl]-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 46920544) has the molecular formula C17H13BrClN3O and a molecular weight of 390.67 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID46920544
Molecular FormulaC17H13BrClN3O
Molecular Weight390.67 g/mol
Exact Mass388.99
IUPAC NameN-[(3-bromophenyl)methyl]-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1cccc(Br)c1)c1cc(-c2cccc(Cl)c2)n[nH]1
InChIInChI=1S/C17H13BrClN3O/c18-13-5-1-3-11(7-13)10-20-17(23)16-9-15(21-22-16)12-4-2-6-14(19)8-12/h1-9H,10H2,(H,20,23)(H,21,22)
InChIKeyWZLZHZVAQBEAPF-UHFFFAOYSA-N
XLogP4.42
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.67
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromophenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46857012
N-[(3-bromophenyl)methyl]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46856990
2-(3-bromophenyl)-N-[(3-chlorophenyl)methyl]-1H-imidazole-5-carboxamide
CID 11538367
3-(3-chlorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide
CID 46920548
N-[(3,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 118716752
3-(3-chlorophenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
CID 47027158
3-(3-bromophenyl)-N-[(2S)-3-(3-bromophenyl)-1-(methylamino)-1-oxopropan-2-yl]-1H-pyrazole-5-carboxamide
CID 170223650
N-(5-chloro-2-fluorophenyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 46920230
N'-(2-chlorobenzoyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carbohydrazide
CID 55624453
1-[(3-bromophenyl)methyl]-3-(3-chlorophenyl)urea
CID 60969136
N-[(3-bromophenyl)methyl]-6-chloropyridine-2-carboxamide
CID 24903437
N-benzyl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087401

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide (CID 46920544) is N-[(3-bromophenyl)methyl]-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide is O=C(NCc1cccc(Br)c1)c1cc(-c2cccc(Cl)c2)n[nH]1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is WZLZHZVAQBEAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrClN3O/c18-13-5-1-3-11(7-13)10-20-17(23)16-9-15(21-22-16)12-4-2-6-14(19)8-12/h1-9H,10H2,(H,20,23)(H,21,22).
What are the key properties of N-[(3-bromophenyl)methyl]-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide?
N-[(3-bromophenyl)methyl]-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 390.67 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46920544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).