(2R)-4-[5-[(4-bromopyrazol-1-yl)methyl]furan-2-carbonyl]morpholine-2-carboxylic acid

C14H14BrN3O5 — CID 129415641

IUPAC(2R)-4-[5-[(4-bromopyrazol-1-yl)methyl]furan-2-carbonyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)c2ccc(Cn3cc(Br)cn3)o2)CCO1
InChIInChI=1S/C14H14BrN3O5/c15-9-5-16-18(6-9)7-10-1-2-11(23-10)13(19)17-3-4-22-12(8-17)14(20)21/h1-2,5-6,12H,3-4,7-8H2,(H,20,21)/t12-/m1/s1
InChIKeyKCWXVOSFWWHUJS-GFCCVEGCSA-N
MW384.19 g/mol
LogP1.21
Rot. Bonds4

About (2R)-4-[5-[(4-bromopyrazol-1-yl)methyl]furan-2-carbonyl]morpholine-2-carboxylic acid

(2R)-4-[5-[(4-bromopyrazol-1-yl)methyl]furan-2-carbonyl]morpholine-2-carboxylic acid (PubChem CID 129415641) has the molecular formula C14H14BrN3O5 and a molecular weight of 384.19 g/mol. Its IUPAC name is (2R)-4-[5-[(4-bromopyrazol-1-yl)methyl]furan-2-carbonyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-[5-[(4-bromopyrazol-1-yl)methyl]furan-2-carbonyl]morpholine-2-carboxylic acid
PubChem CID129415641
Molecular FormulaC14H14BrN3O5
Molecular Weight384.19 g/mol
Exact Mass383.01
IUPAC Name(2R)-4-[5-[(4-bromopyrazol-1-yl)methyl]furan-2-carbonyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)c2ccc(Cn3cc(Br)cn3)o2)CCO1
InChIInChI=1S/C14H14BrN3O5/c15-9-5-16-18(6-9)7-10-1-2-11(23-10)13(19)17-3-4-22-12(8-17)14(20)21/h1-2,5-6,12H,3-4,7-8H2,(H,20,21)/t12-/m1/s1
InChIKeyKCWXVOSFWWHUJS-GFCCVEGCSA-N
XLogP1.21
TPSA97.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.19
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-4-[5-[(4-bromopyrazol-1-yl)methyl]furan-2-carbonyl]morpholine-2-carboxylic acid with MolForge

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Related Compounds

4-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]morpholine-2-carboxylic acid
CID 56894255
(2S)-1-[5-[(4-bromopyrazol-1-yl)methyl]furan-2-carbonyl]piperidine-2-carboxylic acid
CID 124702289
5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate
CID 3574616
[5-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]-(2-methylpiperidin-1-yl)methanone
CID 56725942
[5-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]-[4-(2-hydroxybutyl)piperazin-1-yl]methanone
CID 86895803
methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate
CID 920228
4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]morpholine-2-carboxylic acid
CID 119240052
5-[(4-bromopyrazol-1-yl)methyl]-N-[(2S)-3-methylbutan-2-yl]furan-2-carboxamide
CID 95280433
tert-butyl (3S)-3-[5-[(4-bromopyrazol-1-yl)methyl]furan-2-carbonyl]oxypyrrolidine-1-carboxylate
CID 86953647
[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone
CID 45147653
3-[5-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]-3-oxo-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propanenitrile
CID 86947866
5-[(4-bromopyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 35334164

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[5-[(4-bromopyrazol-1-yl)methyl]furan-2-carbonyl]morpholine-2-carboxylic acid?
The IUPAC name of (2R)-4-[5-[(4-bromopyrazol-1-yl)methyl]furan-2-carbonyl]morpholine-2-carboxylic acid (CID 129415641) is (2R)-4-[5-[(4-bromopyrazol-1-yl)methyl]furan-2-carbonyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-[5-[(4-bromopyrazol-1-yl)methyl]furan-2-carbonyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2R)-4-[5-[(4-bromopyrazol-1-yl)methyl]furan-2-carbonyl]morpholine-2-carboxylic acid is O=C(O)[C@H]1CN(C(=O)c2ccc(Cn3cc(Br)cn3)o2)CCO1.
What is the InChIKey of (2R)-4-[5-[(4-bromopyrazol-1-yl)methyl]furan-2-carbonyl]morpholine-2-carboxylic acid?
The InChIKey is KCWXVOSFWWHUJS-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H14BrN3O5/c15-9-5-16-18(6-9)7-10-1-2-11(23-10)13(19)17-3-4-22-12(8-17)14(20)21/h1-2,5-6,12H,3-4,7-8H2,(H,20,21)/t12-/m1/s1.
What are the key properties of (2R)-4-[5-[(4-bromopyrazol-1-yl)methyl]furan-2-carbonyl]morpholine-2-carboxylic acid?
(2R)-4-[5-[(4-bromopyrazol-1-yl)methyl]furan-2-carbonyl]morpholine-2-carboxylic acid has a molecular weight of 384.19 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[5-[(4-bromopyrazol-1-yl)methyl]furan-2-carbonyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 129415641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).