N-(3-bromophenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide

C15H11BrN4O — CID 53087479

IUPACN-(3-bromophenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cccc(Br)c1)c1cc(-c2cccnc2)n[nH]1
InChIInChI=1S/C15H11BrN4O/c16-11-4-1-5-12(7-11)18-15(21)14-8-13(19-20-14)10-3-2-6-17-9-10/h1-9H,(H,18,21)(H,19,20)
InChIKeyKLEDLNKVVZSTKC-UHFFFAOYSA-N
MW343.18 g/mol
LogP3.49
Rot. Bonds3

About N-(3-bromophenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide

N-(3-bromophenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide (PubChem CID 53087479) has the molecular formula C15H11BrN4O and a molecular weight of 343.18 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
PubChem CID53087479
Molecular FormulaC15H11BrN4O
Molecular Weight343.18 g/mol
Exact Mass342.01
IUPAC NameN-(3-bromophenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cccc(Br)c1)c1cc(-c2cccnc2)n[nH]1
InChIInChI=1S/C15H11BrN4O/c16-11-4-1-5-12(7-11)18-15(21)14-8-13(19-20-14)10-3-2-6-17-9-10/h1-9H,(H,18,21)(H,19,20)
InChIKeyKLEDLNKVVZSTKC-UHFFFAOYSA-N
XLogP3.49
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.18
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-carbamoylphenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
CID 71828964
N-(2-methyl-4-pyridinyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
CID 110676539
N-(3-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087403
N-[3-(5-methyl-1H-pyrazol-3-yl)phenyl]pyridine-3-carboxamide
CID 110732494
N-[2-(4-bromophenyl)-2-hydroxyethyl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
CID 171675382
N-(3-bromophenyl)pyrazine-2-carboxamide
CID 139196935
N-(2-fluoro-4-methylphenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
CID 53014348
N-(3-bromophenyl)-2-(4-pyridin-3-ylpyrazol-1-yl)pyridine-3-carboxamide
CID 71694640
N-(3-pyridin-3-ylphenyl)pyridine-3-carboxamide
CID 110461666
N-[3-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]pyridine-3-carboxamide
CID 78863694
N-(4-bromo-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 110676567
N-(3-bromophenyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide
CID 38885627

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(3-bromophenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide (CID 53087479) is N-(3-bromophenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide is O=C(Nc1cccc(Br)c1)c1cc(-c2cccnc2)n[nH]1.
What is the InChIKey of N-(3-bromophenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide?
The InChIKey is KLEDLNKVVZSTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN4O/c16-11-4-1-5-12(7-11)18-15(21)14-8-13(19-20-14)10-3-2-6-17-9-10/h1-9H,(H,18,21)(H,19,20).
What are the key properties of N-(3-bromophenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide?
N-(3-bromophenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide has a molecular weight of 343.18 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 53087479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).