N-[4-(4-bromopyrazol-1-yl)phenyl]pyridine-4-carboxamide

C15H11BrN4O — CID 6463138

IUPACN-[4-(4-bromopyrazol-1-yl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(-n2cc(Br)cn2)cc1)c1ccncc1
InChIInChI=1S/C15H11BrN4O/c16-12-9-18-20(10-12)14-3-1-13(2-4-14)19-15(21)11-5-7-17-8-6-11/h1-10H,(H,19,21)
InChIKeyTUWYJVHHIVECAE-UHFFFAOYSA-N
MW343.18 g/mol
LogP3.28
Rot. Bonds3

About N-[4-(4-bromopyrazol-1-yl)phenyl]pyridine-4-carboxamide

N-[4-(4-bromopyrazol-1-yl)phenyl]pyridine-4-carboxamide (PubChem CID 6463138) has the molecular formula C15H11BrN4O and a molecular weight of 343.18 g/mol. Its IUPAC name is N-[4-(4-bromopyrazol-1-yl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-bromopyrazol-1-yl)phenyl]pyridine-4-carboxamide
PubChem CID6463138
Molecular FormulaC15H11BrN4O
Molecular Weight343.18 g/mol
Exact Mass342.01
IUPAC NameN-[4-(4-bromopyrazol-1-yl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(-n2cc(Br)cn2)cc1)c1ccncc1
InChIInChI=1S/C15H11BrN4O/c16-12-9-18-20(10-12)14-3-1-13(2-4-14)19-15(21)11-5-7-17-8-6-11/h1-10H,(H,19,21)
InChIKeyTUWYJVHHIVECAE-UHFFFAOYSA-N
XLogP3.28
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.18
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1H-Pyrazole, 3,5-dimethyl-1-(4-pyridinylcarbonyl)-
CID 645025
N-(4-(3,5-Bis(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)-3-fluoroisonicotinamide
CID 10598093
1-methyl-N'-(4-pyridinylmethylene)-1H-pyrazole-3-carbohydrazide
CID 5412145
N-(4-{N-[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]ethanehydrazonoyl}phenyl)isonicotinamide
CID 5454901
N-(4-(3-(pyridin-3-yl)-5-(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)benzamide
CID 52942123
1-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]pyrazole-3-carboxamide
CID 5424915
N-[4-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)phenyl]isonicotinamide
CID 23723986
N-[4-[3,5-Bis(trifluoromethyl)-1H-pyrazole-1-yl]phenyl]pyridine-4-carboxamide
CID 9843907
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide
CID 10222604
N-[4-[3-(Trifluoromethyl)-5-bromo-1H-pyrazole-1-yl]phenyl]-3-fluoropyridine-4-carboxamide
CID 10646229
N-[4-[3-(Trifluoromethyl)-5-chloro-1H-pyrazole-1-yl]phenyl]-3-fluoropyridine-4-carboxamide
CID 10715078
N-[4-[3-(Trifluoromethyl)-5-cyano-1H-pyrazole-1-yl]phenyl]-3-fluoropyridine-4-carboxamide
CID 10809455

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromopyrazol-1-yl)phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[4-(4-bromopyrazol-1-yl)phenyl]pyridine-4-carboxamide (CID 6463138) is N-[4-(4-bromopyrazol-1-yl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(4-bromopyrazol-1-yl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(4-bromopyrazol-1-yl)phenyl]pyridine-4-carboxamide is O=C(Nc1ccc(-n2cc(Br)cn2)cc1)c1ccncc1.
What is the InChIKey of N-[4-(4-bromopyrazol-1-yl)phenyl]pyridine-4-carboxamide?
The InChIKey is TUWYJVHHIVECAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN4O/c16-12-9-18-20(10-12)14-3-1-13(2-4-14)19-15(21)11-5-7-17-8-6-11/h1-10H,(H,19,21).
What are the key properties of N-[4-(4-bromopyrazol-1-yl)phenyl]pyridine-4-carboxamide?
N-[4-(4-bromopyrazol-1-yl)phenyl]pyridine-4-carboxamide has a molecular weight of 343.18 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromopyrazol-1-yl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 6463138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).