2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-[(1,5-dimethylpyrazol-3-yl)methyl]propanamide

C18H20BrN5O2 — CID 110210634

IUPAC2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-[(1,5-dimethylpyrazol-3-yl)methyl]propanamide
SMILESCc1cc(CNC(=O)C(C)Oc2nn(-c3ccccc3)cc2Br)nn1C
InChIInChI=1S/C18H20BrN5O2/c1-12-9-14(21-23(12)3)10-20-17(25)13(2)26-18-16(19)11-24(22-18)15-7-5-4-6-8-15/h4-9,11,13H,10H2,1-3H3,(H,20,25)
InChIKeyNQCRXGWIQXRTTF-UHFFFAOYSA-N
MW418.30 g/mol
LogP2.76
Rot. Bonds6

About 2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-[(1,5-dimethylpyrazol-3-yl)methyl]propanamide

2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-[(1,5-dimethylpyrazol-3-yl)methyl]propanamide (PubChem CID 110210634) has the molecular formula C18H20BrN5O2 and a molecular weight of 418.30 g/mol. Its IUPAC name is 2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-[(1,5-dimethylpyrazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-[(1,5-dimethylpyrazol-3-yl)methyl]propanamide
PubChem CID110210634
Molecular FormulaC18H20BrN5O2
Molecular Weight418.30 g/mol
Exact Mass417.08
IUPAC Name2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-[(1,5-dimethylpyrazol-3-yl)methyl]propanamide
SMILESCc1cc(CNC(=O)C(C)Oc2nn(-c3ccccc3)cc2Br)nn1C
InChIInChI=1S/C18H20BrN5O2/c1-12-9-14(21-23(12)3)10-20-17(25)13(2)26-18-16(19)11-24(22-18)15-7-5-4-6-8-15/h4-9,11,13H,10H2,1-3H3,(H,20,25)
InChIKeyNQCRXGWIQXRTTF-UHFFFAOYSA-N
XLogP2.76
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[(1,5-dimethylpyrazol-3-yl)methyl]propanamide
CID 102567223
(2R)-N-benzyl-2-(4-bromo-1-phenylpyrazol-3-yl)oxypropanamide
CID 100829357
(2S)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(2-methylpropyl)propanamide
CID 100830030
(2R)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(2,5-dimethylpyrazol-3-yl)propanamide
CID 100830106
2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide
CID 110210605
(2S)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(1-ethyl-5-methylpyrazol-3-yl)propanamide
CID 100830119
(2R)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(1-ethyl-5-methylpyrazol-3-yl)propanamide
CID 100830118
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanamide
CID 110210593
(2S)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-[3-(2-fluorophenyl)propyl]propanamide
CID 100830150
(2S)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-[3-(4-fluorophenyl)propyl]propanamide
CID 100830153
2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(1-methylpyrazol-3-yl)propanamide
CID 110210628
(2R)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(4-fluorophenyl)propanamide
CID 100830093

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-[(1,5-dimethylpyrazol-3-yl)methyl]propanamide?
The IUPAC name of 2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-[(1,5-dimethylpyrazol-3-yl)methyl]propanamide (CID 110210634) is 2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-[(1,5-dimethylpyrazol-3-yl)methyl]propanamide.
What is the SMILES notation for 2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-[(1,5-dimethylpyrazol-3-yl)methyl]propanamide?
The canonical SMILES for 2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-[(1,5-dimethylpyrazol-3-yl)methyl]propanamide is Cc1cc(CNC(=O)C(C)Oc2nn(-c3ccccc3)cc2Br)nn1C.
What is the InChIKey of 2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-[(1,5-dimethylpyrazol-3-yl)methyl]propanamide?
The InChIKey is NQCRXGWIQXRTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN5O2/c1-12-9-14(21-23(12)3)10-20-17(25)13(2)26-18-16(19)11-24(22-18)15-7-5-4-6-8-15/h4-9,11,13H,10H2,1-3H3,(H,20,25).
What are the key properties of 2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-[(1,5-dimethylpyrazol-3-yl)methyl]propanamide?
2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-[(1,5-dimethylpyrazol-3-yl)methyl]propanamide has a molecular weight of 418.30 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-[(1,5-dimethylpyrazol-3-yl)methyl]propanamide is sourced from PubChem (CID 110210634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).