N-[(4-bromophenyl)methyl]-N-methyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide

C17H16BrN3O2 — CID 112829085

IUPACN-[(4-bromophenyl)methyl]-N-methyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N(C)Cc3ccc(Br)cc3)n[nH]2)o1
InChIInChI=1S/C17H16BrN3O2/c1-11-3-8-16(23-11)14-9-15(20-19-14)17(22)21(2)10-12-4-6-13(18)7-5-12/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyGGBFWCQUAXZLAU-UHFFFAOYSA-N
MW374.24 g/mol
LogP4.01
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-N-methyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide

N-[(4-bromophenyl)methyl]-N-methyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 112829085) has the molecular formula C17H16BrN3O2 and a molecular weight of 374.24 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-N-methyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-N-methyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID112829085
Molecular FormulaC17H16BrN3O2
Molecular Weight374.24 g/mol
Exact Mass373.04
IUPAC NameN-[(4-bromophenyl)methyl]-N-methyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N(C)Cc3ccc(Br)cc3)n[nH]2)o1
InChIInChI=1S/C17H16BrN3O2/c1-11-3-8-16(23-11)14-9-15(20-19-14)17(22)21(2)10-12-4-6-13(18)7-5-12/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyGGBFWCQUAXZLAU-UHFFFAOYSA-N
XLogP4.01
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.24
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-5-(5-methylfuran-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 112828913
N-[(3-chlorophenyl)methyl]-N-methyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 112828742
N-[(2-chlorophenyl)methyl]-N-methyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 112828721
1-[2-[methyl-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]amino]acetyl]piperidine-4-carboxylic acid
CID 119235800
N-[(5-bromothiophen-2-yl)methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 112829365
N-(2-aminoethyl)-5-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide
CID 120885072
N-(2-aminoethyl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 119385488
N-cyclopropyl-5-(5-methylfuran-2-yl)-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 70772384
5-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide
CID 112829139
N-[3-(methylamino)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 119434158
N-[(4-bromophenyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide
CID 61057739
5-(5-methylfuran-2-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]-1H-pyrazole-3-carboxamide
CID 112834343

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-N-methyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-N-methyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide (CID 112829085) is N-[(4-bromophenyl)methyl]-N-methyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-N-methyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-N-methyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)N(C)Cc3ccc(Br)cc3)n[nH]2)o1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-N-methyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is GGBFWCQUAXZLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O2/c1-11-3-8-16(23-11)14-9-15(20-19-14)17(22)21(2)10-12-4-6-13(18)7-5-12/h3-9H,10H2,1-2H3,(H,19,20).
What are the key properties of N-[(4-bromophenyl)methyl]-N-methyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
N-[(4-bromophenyl)methyl]-N-methyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 374.24 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-N-methyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 112829085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).