N-[5-(3-bromophenyl)-1-methylimidazol-2-yl]-5-propyl-1H-pyrazole-3-carboxamide

C17H18BrN5O — CID 91800628

IUPACN-[5-(3-bromophenyl)-1-methylimidazol-2-yl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2ncc(-c3cccc(Br)c3)n2C)n[nH]1
InChIInChI=1S/C17H18BrN5O/c1-3-5-13-9-14(22-21-13)16(24)20-17-19-10-15(23(17)2)11-6-4-7-12(18)8-11/h4,6-10H,3,5H2,1-2H3,(H,21,22)(H,19,20,24)
InChIKeyWDAAPIMOAAPJDZ-UHFFFAOYSA-N
MW388.27 g/mol
LogP3.78
Rot. Bonds5

About N-[5-(3-bromophenyl)-1-methylimidazol-2-yl]-5-propyl-1H-pyrazole-3-carboxamide

N-[5-(3-bromophenyl)-1-methylimidazol-2-yl]-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 91800628) has the molecular formula C17H18BrN5O and a molecular weight of 388.27 g/mol. Its IUPAC name is N-[5-(3-bromophenyl)-1-methylimidazol-2-yl]-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-(3-bromophenyl)-1-methylimidazol-2-yl]-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID91800628
Molecular FormulaC17H18BrN5O
Molecular Weight388.27 g/mol
Exact Mass387.07
IUPAC NameN-[5-(3-bromophenyl)-1-methylimidazol-2-yl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2ncc(-c3cccc(Br)c3)n2C)n[nH]1
InChIInChI=1S/C17H18BrN5O/c1-3-5-13-9-14(22-21-13)16(24)20-17-19-10-15(23(17)2)11-6-4-7-12(18)8-11/h4,6-10H,3,5H2,1-2H3,(H,21,22)(H,19,20,24)
InChIKeyWDAAPIMOAAPJDZ-UHFFFAOYSA-N
XLogP3.78
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-bromophenyl)-N-[(4-fluorophenyl)methyl]-1-methylimidazol-2-amine
CID 5007212
N-(3-acetamidophenyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 36709127
N-[(2S)-2-(3-bromophenyl)-2-hydroxyethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 138993451
5-(3-bromophenyl)-N-[(3-chlorophenyl)methyl]-1-methylimidazol-2-amine
CID 3590512
4-[[[5-(3-bromophenyl)-1-methylimidazol-2-yl]amino]methyl]phenol
CID 35264066
N-naphthalen-1-yl-5-propyl-1H-pyrazole-3-carboxamide
CID 25353565
5-(3-bromophenyl)-1-methyl-N-[(4-methylsulfanylphenyl)methyl]imidazol-2-amine
CID 5161189
2-(3-bromophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 115621179
N-[(3-chlorophenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 55554809
2-[[[5-(3-bromophenyl)-1-methylimidazol-2-yl]amino]methyl]-4-chlorophenol;oxalic acid
CID 163327436
1-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide
CID 112690410
N'-(2-chlorobenzoyl)-5-propyl-1H-pyrazole-3-carbohydrazide
CID 24671907

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-bromophenyl)-1-methylimidazol-2-yl]-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[5-(3-bromophenyl)-1-methylimidazol-2-yl]-5-propyl-1H-pyrazole-3-carboxamide (CID 91800628) is N-[5-(3-bromophenyl)-1-methylimidazol-2-yl]-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[5-(3-bromophenyl)-1-methylimidazol-2-yl]-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[5-(3-bromophenyl)-1-methylimidazol-2-yl]-5-propyl-1H-pyrazole-3-carboxamide is CCCc1cc(C(=O)Nc2ncc(-c3cccc(Br)c3)n2C)n[nH]1.
What is the InChIKey of N-[5-(3-bromophenyl)-1-methylimidazol-2-yl]-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is WDAAPIMOAAPJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN5O/c1-3-5-13-9-14(22-21-13)16(24)20-17-19-10-15(23(17)2)11-6-4-7-12(18)8-11/h4,6-10H,3,5H2,1-2H3,(H,21,22)(H,19,20,24).
What are the key properties of N-[5-(3-bromophenyl)-1-methylimidazol-2-yl]-5-propyl-1H-pyrazole-3-carboxamide?
N-[5-(3-bromophenyl)-1-methylimidazol-2-yl]-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 388.27 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-bromophenyl)-1-methylimidazol-2-yl]-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 91800628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).