2-(4-bromopyrazol-1-yl)-N-[3-(2-methoxyphenoxy)-5-nitrophenyl]propanamide

C19H17BrN4O5 — CID 19537697

IUPAC2-(4-bromopyrazol-1-yl)-N-[3-(2-methoxyphenoxy)-5-nitrophenyl]propanamide
SMILESCOc1ccccc1Oc1cc(NC(=O)C(C)n2cc(Br)cn2)cc([N+](=O)[O-])c1
InChIInChI=1S/C19H17BrN4O5/c1-12(23-11-13(20)10-21-23)19(25)22-14-7-15(24(26)27)9-16(8-14)29-18-6-4-3-5-17(18)28-2/h3-12H,1-2H3,(H,22,25)
InChIKeyRWZSDSICVBIOKB-UHFFFAOYSA-N
MW461.27 g/mol
LogP4.55
Rot. Bonds7

About 2-(4-bromopyrazol-1-yl)-N-[3-(2-methoxyphenoxy)-5-nitrophenyl]propanamide

2-(4-bromopyrazol-1-yl)-N-[3-(2-methoxyphenoxy)-5-nitrophenyl]propanamide (PubChem CID 19537697) has the molecular formula C19H17BrN4O5 and a molecular weight of 461.27 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-[3-(2-methoxyphenoxy)-5-nitrophenyl]propanamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-[3-(2-methoxyphenoxy)-5-nitrophenyl]propanamide
PubChem CID19537697
Molecular FormulaC19H17BrN4O5
Molecular Weight461.27 g/mol
Exact Mass460.04
IUPAC Name2-(4-bromopyrazol-1-yl)-N-[3-(2-methoxyphenoxy)-5-nitrophenyl]propanamide
SMILESCOc1ccccc1Oc1cc(NC(=O)C(C)n2cc(Br)cn2)cc([N+](=O)[O-])c1
InChIInChI=1S/C19H17BrN4O5/c1-12(23-11-13(20)10-21-23)19(25)22-14-7-15(24(26)27)9-16(8-14)29-18-6-4-3-5-17(18)28-2/h3-12H,1-2H3,(H,22,25)
InChIKeyRWZSDSICVBIOKB-UHFFFAOYSA-N
XLogP4.55
TPSA108.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.27
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-2-(4-methylpyrazol-1-yl)propanamide
CID 19534540
N-[3-(2-methylphenoxy)-5-nitrophenyl]-2-(4-nitropyrazol-1-yl)propanamide
CID 19528845
2-(4-bromopyrazol-1-yl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]propanamide
CID 19537723
2-(4-nitropyrazol-1-yl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]propanamide
CID 19528832
N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-1-methylpyrazole-4-carboxamide
CID 19474688
3-(4-bromopyrazol-1-yl)-N-(3-methoxy-5-nitrophenyl)-2-methylpropanamide
CID 19564652
3-(4-bromo-5-methylpyrazol-1-yl)-N-[3-(2-methoxyphenoxy)-5-nitrophenyl]propanamide
CID 19541613
3-(4-bromopyrazol-1-yl)-N-[3-(4-chlorophenoxy)-5-nitrophenyl]-2-methylpropanamide
CID 19566166
2-(4-chloropyrazol-1-yl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]propanamide
CID 19538644
2-(4-bromopyrazol-1-yl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]butanamide
CID 19551489
1-[1-[3-(4-chloro-3-methylphenoxy)-5-nitroanilino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19505016
N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
CID 19460915

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[3-(2-methoxyphenoxy)-5-nitrophenyl]propanamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[3-(2-methoxyphenoxy)-5-nitrophenyl]propanamide (CID 19537697) is 2-(4-bromopyrazol-1-yl)-N-[3-(2-methoxyphenoxy)-5-nitrophenyl]propanamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-[3-(2-methoxyphenoxy)-5-nitrophenyl]propanamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-[3-(2-methoxyphenoxy)-5-nitrophenyl]propanamide is COc1ccccc1Oc1cc(NC(=O)C(C)n2cc(Br)cn2)cc([N+](=O)[O-])c1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-[3-(2-methoxyphenoxy)-5-nitrophenyl]propanamide?
The InChIKey is RWZSDSICVBIOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O5/c1-12(23-11-13(20)10-21-23)19(25)22-14-7-15(24(26)27)9-16(8-14)29-18-6-4-3-5-17(18)28-2/h3-12H,1-2H3,(H,22,25).
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-[3-(2-methoxyphenoxy)-5-nitrophenyl]propanamide?
2-(4-bromopyrazol-1-yl)-N-[3-(2-methoxyphenoxy)-5-nitrophenyl]propanamide has a molecular weight of 461.27 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-N-[3-(2-methoxyphenoxy)-5-nitrophenyl]propanamide is sourced from PubChem (CID 19537697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).