N-(4-carbamoylphenyl)-3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide

C16H14N4O3 — CID 110682346

IUPACN-(4-carbamoylphenyl)-3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(-c2ccco2)c1C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C16H14N4O3/c1-9-13(14(20-19-9)12-3-2-8-23-12)16(22)18-11-6-4-10(5-7-11)15(17)21/h2-8H,1H3,(H2,17,21)(H,18,22)(H,19,20)
InChIKeyLORSPBCEAHIYKO-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.33
Rot. Bonds4

About N-(4-carbamoylphenyl)-3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide

N-(4-carbamoylphenyl)-3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 110682346) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID110682346
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC NameN-(4-carbamoylphenyl)-3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(-c2ccco2)c1C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C16H14N4O3/c1-9-13(14(20-19-9)12-3-2-8-23-12)16(22)18-11-6-4-10(5-7-11)15(17)21/h2-8H,1H3,(H2,17,21)(H,18,22)(H,19,20)
InChIKeyLORSPBCEAHIYKO-UHFFFAOYSA-N
XLogP2.33
TPSA114.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 110682329
3-(furan-2-yl)-5-methyl-N-(2-methylphenyl)-1H-pyrazole-4-carboxamide
CID 110682318
3-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 110682270
ethyl 4-[3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carbonyl]piperazine-1-carboxylate
CID 110682300
N-(3-chlorophenyl)-3-(furan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 110682474
5-(furan-2-yl)-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 47156334
[3-(furan-2-yl)-5-methyl-1H-pyrazol-4-yl]methanol
CID 54851051
N-(4-carbamoylphenyl)-3-[(4-ethoxyphenyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 53115400
N-(5-carbamoyl-3-fluoro-2-methylphenyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 87045713
1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 1272826
N-(4-carbamoylphenyl)-2,6-dimethoxybenzamide
CID 4126051
N-(4-carbamoylphenyl)-2-methyl-1-benzofuran-3-carboxamide
CID 110703184

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide (CID 110682346) is N-(4-carbamoylphenyl)-3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide is Cc1[nH]nc(-c2ccco2)c1C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is LORSPBCEAHIYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c1-9-13(14(20-19-9)12-3-2-8-23-12)16(22)18-11-6-4-10(5-7-11)15(17)21/h2-8H,1H3,(H2,17,21)(H,18,22)(H,19,20).
What are the key properties of N-(4-carbamoylphenyl)-3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide?
N-(4-carbamoylphenyl)-3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 310.31 g/mol, XLogP of 2.33, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 110682346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).