5-bromo-N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-3-methylfuran-2-carboxamide

C20H22BrN3O2 — CID 55772310

IUPAC5-bromo-N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-3-methylfuran-2-carboxamide
SMILESCc1cc(Br)oc1C(=O)Nc1ccnn1Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H22BrN3O2/c1-13-11-16(21)26-18(13)19(25)23-17-9-10-22-24(17)12-14-5-7-15(8-6-14)20(2,3)4/h5-11H,12H2,1-4H3,(H,23,25)
InChIKeyMEVWIKNEPFZZND-UHFFFAOYSA-N
MW416.32 g/mol
LogP5.15
Rot. Bonds4

About 5-bromo-N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-3-methylfuran-2-carboxamide

5-bromo-N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-3-methylfuran-2-carboxamide (PubChem CID 55772310) has the molecular formula C20H22BrN3O2 and a molecular weight of 416.32 g/mol. Its IUPAC name is 5-bromo-N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-3-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-3-methylfuran-2-carboxamide
PubChem CID55772310
Molecular FormulaC20H22BrN3O2
Molecular Weight416.32 g/mol
Exact Mass415.09
IUPAC Name5-bromo-N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-3-methylfuran-2-carboxamide
SMILESCc1cc(Br)oc1C(=O)Nc1ccnn1Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H22BrN3O2/c1-13-11-16(21)26-18(13)19(25)23-17-9-10-22-24(17)12-14-5-7-15(8-6-14)20(2,3)4/h5-11H,12H2,1-4H3,(H,23,25)
InChIKeyMEVWIKNEPFZZND-UHFFFAOYSA-N
XLogP5.15
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.32
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 34078100
2-bromo-N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]benzamide
CID 27832017
N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-methylfuran-3-carboxamide
CID 34078119
N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-6-methylpyridine-3-carboxamide
CID 31124402
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 34074376
N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 134024755
N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-pyrazol-1-ylpropanamide
CID 134048943
N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-3-methylfuran-2-carboxamide
CID 47047247
methyl 2-[3-[[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]carbamoyl]phenoxy]acetate
CID 55875529
5-bromo-2-iodo-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 112797900
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-methyl-3-nitrobenzamide
CID 27831565
5-chloro-N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 35767540

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-3-methylfuran-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-3-methylfuran-2-carboxamide (CID 55772310) is 5-bromo-N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-3-methylfuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-3-methylfuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-3-methylfuran-2-carboxamide is Cc1cc(Br)oc1C(=O)Nc1ccnn1Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 5-bromo-N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-3-methylfuran-2-carboxamide?
The InChIKey is MEVWIKNEPFZZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN3O2/c1-13-11-16(21)26-18(13)19(25)23-17-9-10-22-24(17)12-14-5-7-15(8-6-14)20(2,3)4/h5-11H,12H2,1-4H3,(H,23,25).
What are the key properties of 5-bromo-N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-3-methylfuran-2-carboxamide?
5-bromo-N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-3-methylfuran-2-carboxamide has a molecular weight of 416.32 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-3-methylfuran-2-carboxamide is sourced from PubChem (CID 55772310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).