5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylfuran-2-carboxamide

C18H22BrN5O2 — CID 19575662

IUPAC5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylfuran-2-carboxamide
SMILESCCn1cc(CN(C)C(=O)c2ccc(Cn3nc(C)c(Br)c3C)o2)cn1
InChIInChI=1S/C18H22BrN5O2/c1-5-23-10-14(8-20-23)9-22(4)18(25)16-7-6-15(26-16)11-24-13(3)17(19)12(2)21-24/h6-8,10H,5,9,11H2,1-4H3
InChIKeyZUSNHGNUMPBWGJ-UHFFFAOYSA-N
MW420.31 g/mol
LogP3.39
Rot. Bonds6

About 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylfuran-2-carboxamide

5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylfuran-2-carboxamide (PubChem CID 19575662) has the molecular formula C18H22BrN5O2 and a molecular weight of 420.31 g/mol. Its IUPAC name is 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylfuran-2-carboxamide
PubChem CID19575662
Molecular FormulaC18H22BrN5O2
Molecular Weight420.31 g/mol
Exact Mass419.10
IUPAC Name5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylfuran-2-carboxamide
SMILESCCn1cc(CN(C)C(=O)c2ccc(Cn3nc(C)c(Br)c3C)o2)cn1
InChIInChI=1S/C18H22BrN5O2/c1-5-23-10-14(8-20-23)9-22(4)18(25)16-7-6-15(26-16)11-24-13(3)17(19)12(2)21-24/h6-8,10H,5,9,11H2,1-4H3
InChIKeyZUSNHGNUMPBWGJ-UHFFFAOYSA-N
XLogP3.39
TPSA69.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.31
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylic acid
CID 736773
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylfuran-2-carboxamide
CID 17020716
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)furan-2-carboxamide
CID 19454915
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]furan-2-carboxamide
CID 19454899
4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 17020519
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide
CID 19456577
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 19454922
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(2-phenylethyl)pyrazol-4-yl]furan-2-carboxamide
CID 95744472
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(3,3-dimethyl-2-oxobutyl)furan-2-carboxamide
CID 95753490
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylacetamide
CID 4770398
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-ethoxypropyl)furan-2-carboxamide
CID 19454971
N-[(1-ethylpyrazol-4-yl)methyl]-N,2-dimethylpyrazole-3-carboxamide
CID 19575699

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylfuran-2-carboxamide?
The IUPAC name of 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylfuran-2-carboxamide (CID 19575662) is 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylfuran-2-carboxamide is CCn1cc(CN(C)C(=O)c2ccc(Cn3nc(C)c(Br)c3C)o2)cn1.
What is the InChIKey of 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylfuran-2-carboxamide?
The InChIKey is ZUSNHGNUMPBWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN5O2/c1-5-23-10-14(8-20-23)9-22(4)18(25)16-7-6-15(26-16)11-24-13(3)17(19)12(2)21-24/h6-8,10H,5,9,11H2,1-4H3.
What are the key properties of 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylfuran-2-carboxamide?
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylfuran-2-carboxamide has a molecular weight of 420.31 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 19575662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).