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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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).