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

C17H16ClN3O2 — CID 112828742

IUPACN-[(3-chlorophenyl)methyl]-N-methyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N(C)Cc3cccc(Cl)c3)n[nH]2)o1
InChIInChI=1S/C17H16ClN3O2/c1-11-6-7-16(23-11)14-9-15(20-19-14)17(22)21(2)10-12-4-3-5-13(18)8-12/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyYEUSXPGLTAGTJZ-UHFFFAOYSA-N
MW329.79 g/mol
LogP3.90
Rot. Bonds4

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

N-[(3-chlorophenyl)methyl]-N-methyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 112828742) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-methyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-methyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID112828742
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC NameN-[(3-chlorophenyl)methyl]-N-methyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N(C)Cc3cccc(Cl)c3)n[nH]2)o1
InChIInChI=1S/C17H16ClN3O2/c1-11-6-7-16(23-11)14-9-15(20-19-14)17(22)21(2)10-12-4-3-5-13(18)8-12/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyYEUSXPGLTAGTJZ-UHFFFAOYSA-N
XLogP3.90
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-N-methyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 112828721
N-[(4-bromophenyl)methyl]-N-methyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 112829085
N-methyl-5-(5-methylfuran-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 112828913
N-(2-aminoethyl)-5-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide
CID 120885072
1-[2-[methyl-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]amino]acetyl]piperidine-4-carboxylic acid
CID 119235800
N-[(3-chlorophenyl)methyl]-N,3-dimethylfuran-2-carboxamide
CID 134044846
N-[[3-[(dimethylamino)methyl]phenyl]methyl]-N-methyl-4-(5-methylfuran-2-yl)benzamide
CID 131922153
N-[(3-chlorophenyl)methyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide
CID 55754908
N-[(3-chlorophenyl)methyl]-N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 17496872
5-[(3-chlorophenyl)methyl-methylcarbamoyl]furan-3-carboxylic acid
CID 104607255
2-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 66377068
N-[(3-chlorophenyl)methyl]-N-methyl-6-oxo-1H-pyridine-2-carboxamide
CID 107261420

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide (CID 112828742) is N-[(3-chlorophenyl)methyl]-N-methyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-methyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-methyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)N(C)Cc3cccc(Cl)c3)n[nH]2)o1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-methyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is YEUSXPGLTAGTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-11-6-7-16(23-11)14-9-15(20-19-14)17(22)21(2)10-12-4-3-5-13(18)8-12/h3-9H,10H2,1-2H3,(H,19,20).
What are the key properties of N-[(3-chlorophenyl)methyl]-N-methyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
N-[(3-chlorophenyl)methyl]-N-methyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 329.79 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N-methyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 112828742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).