[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-morpholin-4-ylmethanone

C15H18BrN3O3 — CID 1001293

IUPAC[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-morpholin-4-ylmethanone
SMILESCc1nn(Cc2ccc(C(=O)N3CCOCC3)o2)c(C)c1Br
InChIInChI=1S/C15H18BrN3O3/c1-10-14(16)11(2)19(17-10)9-12-3-4-13(22-12)15(20)18-5-7-21-8-6-18/h3-4H,5-9H2,1-2H3
InChIKeyDXPQONJWUORJRD-UHFFFAOYSA-N
MW368.23 g/mol
LogP2.38
Rot. Bonds3

About [5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-morpholin-4-ylmethanone

[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-morpholin-4-ylmethanone (PubChem CID 1001293) has the molecular formula C15H18BrN3O3 and a molecular weight of 368.23 g/mol. Its IUPAC name is [5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-morpholin-4-ylmethanone
PubChem CID1001293
Molecular FormulaC15H18BrN3O3
Molecular Weight368.23 g/mol
Exact Mass367.05
IUPAC Name[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-morpholin-4-ylmethanone
SMILESCc1nn(Cc2ccc(C(=O)N3CCOCC3)o2)c(C)c1Br
InChIInChI=1S/C15H18BrN3O3/c1-10-14(16)11(2)19(17-10)9-12-3-4-13(22-12)15(20)18-5-7-21-8-6-18/h3-4H,5-9H2,1-2H3
InChIKeyDXPQONJWUORJRD-UHFFFAOYSA-N
XLogP2.38
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.23
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-((3,5-Dimethyl-1H-pyrazol-1-yl)methyl)furan-2-carbohydrazide
CID 914321
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]furan-2-carboxamide
CID 6499777
n-(3-(3,5-Dimethyl-1h-pyrazol-1-yl)propyl)furan-2-carboxamide
CID 19293679
N-[3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl]-5-methyl-2-furancarboxamide
CID 25162249
(4-Bromo-3,5-dimethylpyrazol-1-yl)-(furan-2-yl)methanone
CID 672849
N-(2-furylmethyl)-5-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-2-furamide
CID 1091759
5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(tert-butyl)-2-furamide
CID 3239894
1-{5-[(4-bromo-1H-pyrazol-1-yl)methyl]-2-furoyl}-4-(2-furoyl)piperazine
CID 3243739
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 831746
N-[(1,3-dimethylpyrazol-4-yl)methyl](5-bromo(2-furyl))carboxamide
CID 660918
N-[2-(cyclohexen-1-yl)ethyl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 660953
1-(2-furoyl)-4-[5-({4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}methyl)-2-furoyl]piperazine
CID 1000981

Frequently Asked Questions

What is the IUPAC name of [5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-morpholin-4-ylmethanone (CID 1001293) is [5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-morpholin-4-ylmethanone is Cc1nn(Cc2ccc(C(=O)N3CCOCC3)o2)c(C)c1Br.
What is the InChIKey of [5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-morpholin-4-ylmethanone?
The InChIKey is DXPQONJWUORJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O3/c1-10-14(16)11(2)19(17-10)9-12-3-4-13(22-12)15(20)18-5-7-21-8-6-18/h3-4H,5-9H2,1-2H3.
What are the key properties of [5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-morpholin-4-ylmethanone?
[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-morpholin-4-ylmethanone has a molecular weight of 368.23 g/mol, XLogP of 2.38, 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]-morpholin-4-ylmethanone is sourced from PubChem (CID 1001293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).