5-(3-bromophenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide

C19H18BrN3O2 — CID 95795174

IUPAC5-(3-bromophenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2cn[nH]c2-c2cccc(Br)c2)cc1
InChIInChI=1S/C19H18BrN3O2/c1-12(13-6-8-16(25-2)9-7-13)22-19(24)17-11-21-23-18(17)14-4-3-5-15(20)10-14/h3-12H,1-2H3,(H,21,23)(H,22,24)/t12-/m1/s1
InChIKeyBLSHJGSBELNKTR-GFCCVEGCSA-N
MW400.28 g/mol
LogP4.34
Rot. Bonds5

About 5-(3-bromophenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide

5-(3-bromophenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide (PubChem CID 95795174) has the molecular formula C19H18BrN3O2 and a molecular weight of 400.28 g/mol. Its IUPAC name is 5-(3-bromophenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-bromophenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
PubChem CID95795174
Molecular FormulaC19H18BrN3O2
Molecular Weight400.28 g/mol
Exact Mass399.06
IUPAC Name5-(3-bromophenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2cn[nH]c2-c2cccc(Br)c2)cc1
InChIInChI=1S/C19H18BrN3O2/c1-12(13-6-8-16(25-2)9-7-13)22-19(24)17-11-21-23-18(17)14-4-3-5-15(20)10-14/h3-12H,1-2H3,(H,21,23)(H,22,24)/t12-/m1/s1
InChIKeyBLSHJGSBELNKTR-GFCCVEGCSA-N
XLogP4.34
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.28
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methoxyphenyl)ethyl]-5-(4-nitrophenyl)-1H-pyrazole-4-carboxamide
CID 71824160
N-[(1S)-1-(4-methoxyphenyl)ethyl]-5-(4-nitrophenyl)-1H-pyrazole-4-carboxamide
CID 95795239
N-(3-bromophenyl)-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 78836023
5-(3,4-dimethoxyphenyl)-N-[1-(4-fluorophenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 71824303
5-(3-bromophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824478
5-(3-methoxyphenyl)-N-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]-1H-pyrazole-4-carboxamide
CID 97150973
N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 51592407
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 95795144
5-(4-chlorophenyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 94049155
5-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824377
2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 962592
5-(4-methoxyphenyl)-N-[(2S)-1-methylsulfanylpropan-2-yl]-1H-pyrazole-4-carboxamide
CID 96565233

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(3-bromophenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide (CID 95795174) is 5-(3-bromophenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(3-bromophenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(3-bromophenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide is COc1ccc([C@@H](C)NC(=O)c2cn[nH]c2-c2cccc(Br)c2)cc1.
What is the InChIKey of 5-(3-bromophenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is BLSHJGSBELNKTR-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H18BrN3O2/c1-12(13-6-8-16(25-2)9-7-13)22-19(24)17-11-21-23-18(17)14-4-3-5-15(20)10-14/h3-12H,1-2H3,(H,21,23)(H,22,24)/t12-/m1/s1.
What are the key properties of 5-(3-bromophenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide?
5-(3-bromophenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 400.28 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 95795174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).