N-[(3-bromophenyl)methyl]-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxamide

C22H19BrN4O2 — CID 24982194

IUPACN-[(3-bromophenyl)methyl]-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxamide
SMILESCc1cc(Cn2nc(C(=O)NCc3cccc(Br)c3)cc2-c2ccccc2)on1
InChIInChI=1S/C22H19BrN4O2/c1-15-10-19(29-26-15)14-27-21(17-7-3-2-4-8-17)12-20(25-27)22(28)24-13-16-6-5-9-18(23)11-16/h2-12H,13-14H2,1H3,(H,24,28)
InChIKeyXASRJUQULDXCIC-UHFFFAOYSA-N
MW451.32 g/mol
LogP4.59
Rot. Bonds6

About N-[(3-bromophenyl)methyl]-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxamide

N-[(3-bromophenyl)methyl]-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxamide (PubChem CID 24982194) has the molecular formula C22H19BrN4O2 and a molecular weight of 451.32 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxamide
PubChem CID24982194
Molecular FormulaC22H19BrN4O2
Molecular Weight451.32 g/mol
Exact Mass450.07
IUPAC NameN-[(3-bromophenyl)methyl]-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxamide
SMILESCc1cc(Cn2nc(C(=O)NCc3cccc(Br)c3)cc2-c2ccccc2)on1
InChIInChI=1S/C22H19BrN4O2/c1-15-10-19(29-26-15)14-27-21(17-7-3-2-4-8-17)12-20(25-27)22(28)24-13-16-6-5-9-18(23)11-16/h2-12H,13-14H2,1H3,(H,24,28)
InChIKeyXASRJUQULDXCIC-UHFFFAOYSA-N
XLogP4.59
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.32
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]-3-methyl-5-isoxazolecarboxamide
CID 9550989
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 9550990
N-(cyclopropylmethyl)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxamide
CID 24980474
N-(cyclopropylmethyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxamide
CID 24980536
N-[(2-methoxyphenyl)methyl]-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxamide
CID 24980539
1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-[(4-methylphenyl)methyl]-3-phenylpyrazole-5-carboxamide
CID 24980540
N-(2-methoxyethyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxamide
CID 24982195
1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 24982225
1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-[(2-methoxyphenyl)methyl]-3-phenylpyrazole-5-carboxamide
CID 24982499
N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-5-methyl-2-phenylpyrazole-3-carboxamide
CID 44526206
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 6619748
N-(1-Benzyl-3,5-dimethyl-1H-pyrazol-4-YL)-5-(propan-2-YL)-1,2-oxazole-3-carboxamide
CID 15988782

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxamide (CID 24982194) is N-[(3-bromophenyl)methyl]-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxamide is Cc1cc(Cn2nc(C(=O)NCc3cccc(Br)c3)cc2-c2ccccc2)on1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxamide?
The InChIKey is XASRJUQULDXCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN4O2/c1-15-10-19(29-26-15)14-27-21(17-7-3-2-4-8-17)12-20(25-27)22(28)24-13-16-6-5-9-18(23)11-16/h2-12H,13-14H2,1H3,(H,24,28).
What are the key properties of N-[(3-bromophenyl)methyl]-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxamide?
N-[(3-bromophenyl)methyl]-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxamide has a molecular weight of 451.32 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 24982194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).