N-[1-(furan-2-yl)ethyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide

C18H19N3O2 — CID 78853229

IUPACN-[1-(furan-2-yl)ethyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N(C)C(C)c3ccco3)[nH]n2)cc1
InChIInChI=1S/C18H19N3O2/c1-12-6-8-14(9-7-12)15-11-16(20-19-15)18(22)21(3)13(2)17-5-4-10-23-17/h4-11,13H,1-3H3,(H,19,20)
InChIKeyGCUBVDSDLVZAFY-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.81
Rot. Bonds4

About N-[1-(furan-2-yl)ethyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide

N-[1-(furan-2-yl)ethyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 78853229) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID78853229
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-[1-(furan-2-yl)ethyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N(C)C(C)c3ccco3)[nH]n2)cc1
InChIInChI=1S/C18H19N3O2/c1-12-6-8-14(9-7-12)15-11-16(20-19-15)18(22)21(3)13(2)17-5-4-10-23-17/h4-11,13H,1-3H3,(H,19,20)
InChIKeyGCUBVDSDLVZAFY-UHFFFAOYSA-N
XLogP3.81
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)-N-methyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 70770928
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 46588913
3-(4-methoxyphenyl)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]-1H-pyrazole-5-carboxamide
CID 97138639
N-benzyl-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 51046454
2-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]-propan-2-ylamino]acetic acid
CID 119198521
N-(1-aminopropan-2-yl)-3-(4-fluorophenyl)-N-methyl-1H-pyrazole-5-carboxamide;hydrochloride
CID 119581386
7-fluoro-N-[1-(furan-2-yl)ethyl]-N,2-dimethylquinoline-3-carboxamide
CID 78852957
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 37137994
N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 75392281
3-(4-bromophenyl)-N-(1-cyanopropan-2-yl)-N-methyl-1H-pyrazole-5-carboxamide
CID 166193049
3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 19514521
3-methyl-2-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]amino]butanoic acid
CID 119170236

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide (CID 78853229) is N-[1-(furan-2-yl)ethyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide is Cc1ccc(-c2cc(C(=O)N(C)C(C)c3ccco3)[nH]n2)cc1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is GCUBVDSDLVZAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-12-6-8-14(9-7-12)15-11-16(20-19-15)18(22)21(3)13(2)17-5-4-10-23-17/h4-11,13H,1-3H3,(H,19,20).
What are the key properties of N-[1-(furan-2-yl)ethyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
N-[1-(furan-2-yl)ethyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 78853229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).