[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone

C17H22BrN3O3 — CID 4107349

IUPAC[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCc1nn(Cc2ccc(C(=O)N3CC(C)OC(C)C3)o2)c(C)c1Br
InChIInChI=1S/C17H22BrN3O3/c1-10-7-20(8-11(2)23-10)17(22)15-6-5-14(24-15)9-21-13(4)16(18)12(3)19-21/h5-6,10-11H,7-9H2,1-4H3
InChIKeyNVNPAJPBSRCMDO-UHFFFAOYSA-N
MW396.29 g/mol
LogP3.15
Rot. Bonds3

About [5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone

[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 4107349) has the molecular formula C17H22BrN3O3 and a molecular weight of 396.29 g/mol. Its IUPAC name is [5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID4107349
Molecular FormulaC17H22BrN3O3
Molecular Weight396.29 g/mol
Exact Mass395.08
IUPAC Name[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCc1nn(Cc2ccc(C(=O)N3CC(C)OC(C)C3)o2)c(C)c1Br
InChIInChI=1S/C17H22BrN3O3/c1-10-7-20(8-11(2)23-10)17(22)15-6-5-14(24-15)9-21-13(4)16(18)12(3)19-21/h5-6,10-11H,7-9H2,1-4H3
InChIKeyNVNPAJPBSRCMDO-UHFFFAOYSA-N
XLogP3.15
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.29
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylic acid
CID 736773
[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-(4-prop-2-enyl-1,4-diazepan-1-yl)methanone
CID 95749755
[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 35327210
N-(1-adamantyl)-5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 19454721
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]furan-2-carboxamide
CID 51423941
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 19454922
4-bromo-3,5-dimethyl-1-[(5-methylfuran-2-yl)methyl]pyrazole
CID 62129091
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-carboxamide
CID 19456583
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(3,3-dimethyl-2-oxobutyl)furan-2-carboxamide
CID 95753490
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)furan-2-carboxamide
CID 19454915
[5-(azidomethyl)furan-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 134162907
4-[[5-(2,6-dimethylmorpholine-4-carbonyl)furan-2-yl]methyl]-6-methyl-1,4-benzoxazin-3-one
CID 4308263

Frequently Asked Questions

What is the IUPAC name of [5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of [5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone (CID 4107349) is [5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for [5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone is Cc1nn(Cc2ccc(C(=O)N3CC(C)OC(C)C3)o2)c(C)c1Br.
What is the InChIKey of [5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is NVNPAJPBSRCMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3O3/c1-10-7-20(8-11(2)23-10)17(22)15-6-5-14(24-15)9-21-13(4)16(18)12(3)19-21/h5-6,10-11H,7-9H2,1-4H3.
What are the key properties of [5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 396.29 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 4107349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).