4-bromo-N-[4-(2-methoxyphenoxy)phenyl]-5-methyl-1H-pyrazole-3-carboxamide

C18H16BrN3O3 — CID 55884672

IUPAC4-bromo-N-[4-(2-methoxyphenoxy)phenyl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCOc1ccccc1Oc1ccc(NC(=O)c2n[nH]c(C)c2Br)cc1
InChIInChI=1S/C18H16BrN3O3/c1-11-16(19)17(22-21-11)18(23)20-12-7-9-13(10-8-12)25-15-6-4-3-5-14(15)24-2/h3-10H,1-2H3,(H,20,23)(H,21,22)
InChIKeyIVPVQEJVIVDDMW-UHFFFAOYSA-N
MW402.25 g/mol
LogP4.53
Rot. Bonds5

About 4-bromo-N-[4-(2-methoxyphenoxy)phenyl]-5-methyl-1H-pyrazole-3-carboxamide

4-bromo-N-[4-(2-methoxyphenoxy)phenyl]-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 55884672) has the molecular formula C18H16BrN3O3 and a molecular weight of 402.25 g/mol. Its IUPAC name is 4-bromo-N-[4-(2-methoxyphenoxy)phenyl]-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[4-(2-methoxyphenoxy)phenyl]-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID55884672
Molecular FormulaC18H16BrN3O3
Molecular Weight402.25 g/mol
Exact Mass401.04
IUPAC Name4-bromo-N-[4-(2-methoxyphenoxy)phenyl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCOc1ccccc1Oc1ccc(NC(=O)c2n[nH]c(C)c2Br)cc1
InChIInChI=1S/C18H16BrN3O3/c1-11-16(19)17(22-21-11)18(23)20-12-7-9-13(10-8-12)25-15-6-4-3-5-14(15)24-2/h3-10H,1-2H3,(H,20,23)(H,21,22)
InChIKeyIVPVQEJVIVDDMW-UHFFFAOYSA-N
XLogP4.53
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.25
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-2-oxoethoxy)-N-[4-(2-methoxyphenoxy)phenyl]benzamide
CID 24660239
N-[4-(2-methoxyphenoxy)phenyl]-1,2,5-trimethylpyrrole-3-carboxamide
CID 9182918
N-[4-(2-methoxyphenoxy)phenyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
CID 24675685
4,5-dibromo-N-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide
CID 19508436
N-[4-(2-methoxyphenoxy)phenyl]-2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide
CID 42011645
4-bromo-N-(2-phenoxyphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56559943
2-methoxy-N-[4-(2-methoxyphenoxy)phenyl]-2-methylpropanamide
CID 131944896
2-chloro-N-[4-(2-methoxyphenoxy)phenyl]acetamide
CID 39398752
N-(4-bromophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 110859670
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[4-(2-methoxyphenoxy)phenyl]benzamide
CID 27901919
methyl 4-bromo-5-methyl-1H-pyrazole-3-carboxylate
CID 18526038
2-amino-N-[4-(2-methoxyphenoxy)phenyl]propanamide;hydrochloride
CID 154915022

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-(2-methoxyphenoxy)phenyl]-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-[4-(2-methoxyphenoxy)phenyl]-5-methyl-1H-pyrazole-3-carboxamide (CID 55884672) is 4-bromo-N-[4-(2-methoxyphenoxy)phenyl]-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-[4-(2-methoxyphenoxy)phenyl]-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-[4-(2-methoxyphenoxy)phenyl]-5-methyl-1H-pyrazole-3-carboxamide is COc1ccccc1Oc1ccc(NC(=O)c2n[nH]c(C)c2Br)cc1.
What is the InChIKey of 4-bromo-N-[4-(2-methoxyphenoxy)phenyl]-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is IVPVQEJVIVDDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O3/c1-11-16(19)17(22-21-11)18(23)20-12-7-9-13(10-8-12)25-15-6-4-3-5-14(15)24-2/h3-10H,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 4-bromo-N-[4-(2-methoxyphenoxy)phenyl]-5-methyl-1H-pyrazole-3-carboxamide?
4-bromo-N-[4-(2-methoxyphenoxy)phenyl]-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 402.25 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-(2-methoxyphenoxy)phenyl]-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55884672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).