1-[(4-bromopyrazol-1-yl)methyl]-N-phenylpyrazole-3-carboxamide

C14H12BrN5O — CID 19271719

IUPAC1-[(4-bromopyrazol-1-yl)methyl]-N-phenylpyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccn(Cn2cc(Br)cn2)n1
InChIInChI=1S/C14H12BrN5O/c15-11-8-16-20(9-11)10-19-7-6-13(18-19)14(21)17-12-4-2-1-3-5-12/h1-9H,10H2,(H,17,21)
InChIKeyQLPXMVSITMJLAW-UHFFFAOYSA-N
MW346.19 g/mol
LogP2.60
Rot. Bonds4

About 1-[(4-bromopyrazol-1-yl)methyl]-N-phenylpyrazole-3-carboxamide

1-[(4-bromopyrazol-1-yl)methyl]-N-phenylpyrazole-3-carboxamide (PubChem CID 19271719) has the molecular formula C14H12BrN5O and a molecular weight of 346.19 g/mol. Its IUPAC name is 1-[(4-bromopyrazol-1-yl)methyl]-N-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-bromopyrazol-1-yl)methyl]-N-phenylpyrazole-3-carboxamide
PubChem CID19271719
Molecular FormulaC14H12BrN5O
Molecular Weight346.19 g/mol
Exact Mass345.02
IUPAC Name1-[(4-bromopyrazol-1-yl)methyl]-N-phenylpyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccn(Cn2cc(Br)cn2)n1
InChIInChI=1S/C14H12BrN5O/c15-11-8-16-20(9-11)10-19-7-6-13(18-19)14(21)17-12-4-2-1-3-5-12/h1-9H,10H2,(H,17,21)
InChIKeyQLPXMVSITMJLAW-UHFFFAOYSA-N
XLogP2.60
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.19
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-bromopyrazol-1-yl)methyl]-N-(4-phenylphenyl)pyrazole-3-carboxamide
CID 19271730
1-[(4-bromopyrazol-1-yl)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19271737
N-(1-benzyl-4-chloropyrazol-3-yl)-1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carboxamide
CID 19271803
1-[(4-bromopyrazol-1-yl)methyl]-N-ethylpyrazole-3-carboxamide
CID 19271904
1-[(4-bromopyrazol-1-yl)methyl]-N-(2-nitrophenyl)pyrazole-3-carboxamide
CID 19271789
N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carboxamide
CID 19271887
1-[(4-bromopyrazol-1-yl)methyl]-N-(3-chloro-2-methylphenyl)pyrazole-3-carboxamide
CID 19271635
1-[(4-bromopyrazol-1-yl)methyl]-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19271709
1-[(4-bromopyrazol-1-yl)methyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-3-carboxamide
CID 19271640
1-[(4-bromopyrazol-1-yl)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)pyrazole-3-carboxamide
CID 19271850
1-[(4-bromopyrazol-1-yl)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazole-3-carboxamide
CID 19271794
1-[(4-bromopyrazol-1-yl)methyl]-N-butan-2-ylpyrazole-3-carboxamide
CID 19271750

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromopyrazol-1-yl)methyl]-N-phenylpyrazole-3-carboxamide?
The IUPAC name of 1-[(4-bromopyrazol-1-yl)methyl]-N-phenylpyrazole-3-carboxamide (CID 19271719) is 1-[(4-bromopyrazol-1-yl)methyl]-N-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[(4-bromopyrazol-1-yl)methyl]-N-phenylpyrazole-3-carboxamide?
The canonical SMILES for 1-[(4-bromopyrazol-1-yl)methyl]-N-phenylpyrazole-3-carboxamide is O=C(Nc1ccccc1)c1ccn(Cn2cc(Br)cn2)n1.
What is the InChIKey of 1-[(4-bromopyrazol-1-yl)methyl]-N-phenylpyrazole-3-carboxamide?
The InChIKey is QLPXMVSITMJLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN5O/c15-11-8-16-20(9-11)10-19-7-6-13(18-19)14(21)17-12-4-2-1-3-5-12/h1-9H,10H2,(H,17,21).
What are the key properties of 1-[(4-bromopyrazol-1-yl)methyl]-N-phenylpyrazole-3-carboxamide?
1-[(4-bromopyrazol-1-yl)methyl]-N-phenylpyrazole-3-carboxamide has a molecular weight of 346.19 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromopyrazol-1-yl)methyl]-N-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 19271719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).