1-[(4-bromopyrazol-1-yl)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazole-3-carboxamide

C22H18BrN7O — CID 19271794

IUPAC1-[(4-bromopyrazol-1-yl)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazole-3-carboxamide
SMILESO=C(Nc1ccn(Cc2cccc3ccccc23)n1)c1ccn(Cn2cc(Br)cn2)n1
InChIInChI=1S/C22H18BrN7O/c23-18-12-24-30(14-18)15-29-10-8-20(26-29)22(31)25-21-9-11-28(27-21)13-17-6-3-5-16-4-1-2-7-19(16)17/h1-12,14H,13,15H2,(H,25,27,31)
InChIKeyXQVJOTCKZMXMBZ-UHFFFAOYSA-N
MW476.34 g/mol
LogP4.00
Rot. Bonds6

About 1-[(4-bromopyrazol-1-yl)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazole-3-carboxamide

1-[(4-bromopyrazol-1-yl)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazole-3-carboxamide (PubChem CID 19271794) has the molecular formula C22H18BrN7O and a molecular weight of 476.34 g/mol. Its IUPAC name is 1-[(4-bromopyrazol-1-yl)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-bromopyrazol-1-yl)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazole-3-carboxamide
PubChem CID19271794
Molecular FormulaC22H18BrN7O
Molecular Weight476.34 g/mol
Exact Mass475.08
IUPAC Name1-[(4-bromopyrazol-1-yl)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazole-3-carboxamide
SMILESO=C(Nc1ccn(Cc2cccc3ccccc23)n1)c1ccn(Cn2cc(Br)cn2)n1
InChIInChI=1S/C22H18BrN7O/c23-18-12-24-30(14-18)15-29-10-8-20(26-29)22(31)25-21-9-11-28(27-21)13-17-6-3-5-16-4-1-2-7-19(16)17/h1-12,14H,13,15H2,(H,25,27,31)
InChIKeyXQVJOTCKZMXMBZ-UHFFFAOYSA-N
XLogP4.00
TPSA82.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.34
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(4-bromopyrazol-1-yl)methyl]-N-phenylpyrazole-3-carboxamide
CID 19271719
1-[(4-bromopyrazol-1-yl)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19271737
1-[(4-bromopyrazol-1-yl)methyl]-N-(4-phenylphenyl)pyrazole-3-carboxamide
CID 19271730
1-[(2,6-dimethoxyphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazole-3-carboxamide
CID 19277188
N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide
CID 19398605
N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-phenylacetamide
CID 19394819
N-(1-benzyl-4-chloropyrazol-3-yl)-1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carboxamide
CID 19271803
3-cyano-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzamide
CID 19398566
1-[(4-bromopyrazol-1-yl)methyl]-N-(3-chloro-2-methylphenyl)pyrazole-3-carboxamide
CID 19271635
1-[(4-bromopyrazol-1-yl)methyl]-N-ethylpyrazole-3-carboxamide
CID 19271904
3-[3-[[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506538
1-[(4-bromopyrazol-1-yl)methyl]-N-(2-nitrophenyl)pyrazole-3-carboxamide
CID 19271789

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromopyrazol-1-yl)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-[(4-bromopyrazol-1-yl)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazole-3-carboxamide (CID 19271794) is 1-[(4-bromopyrazol-1-yl)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(4-bromopyrazol-1-yl)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[(4-bromopyrazol-1-yl)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazole-3-carboxamide is O=C(Nc1ccn(Cc2cccc3ccccc23)n1)c1ccn(Cn2cc(Br)cn2)n1.
What is the InChIKey of 1-[(4-bromopyrazol-1-yl)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazole-3-carboxamide?
The InChIKey is XQVJOTCKZMXMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrN7O/c23-18-12-24-30(14-18)15-29-10-8-20(26-29)22(31)25-21-9-11-28(27-21)13-17-6-3-5-16-4-1-2-7-19(16)17/h1-12,14H,13,15H2,(H,25,27,31).
What are the key properties of 1-[(4-bromopyrazol-1-yl)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazole-3-carboxamide?
1-[(4-bromopyrazol-1-yl)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazole-3-carboxamide has a molecular weight of 476.34 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromopyrazol-1-yl)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 19271794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).