5-(furan-2-carbonylamino)-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide

C18H18N4O3 — CID 51999001

IUPAC5-(furan-2-carbonylamino)-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCCc2ccccc2)cc1NC(=O)c1ccco1
InChIInChI=1S/C18H18N4O3/c1-22-16(20-18(24)15-8-5-11-25-15)12-14(21-22)17(23)19-10-9-13-6-3-2-4-7-13/h2-8,11-12H,9-10H2,1H3,(H,19,23)(H,20,24)
InChIKeyPXYQEVCLYNOJOM-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.24
Rot. Bonds6

About 5-(furan-2-carbonylamino)-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide

5-(furan-2-carbonylamino)-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide (PubChem CID 51999001) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 5-(furan-2-carbonylamino)-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-carbonylamino)-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide
PubChem CID51999001
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name5-(furan-2-carbonylamino)-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCCc2ccccc2)cc1NC(=O)c1ccco1
InChIInChI=1S/C18H18N4O3/c1-22-16(20-18(24)15-8-5-11-25-15)12-14(21-22)17(23)19-10-9-13-6-3-2-4-7-13/h2-8,11-12H,9-10H2,1H3,(H,19,23)(H,20,24)
InChIKeyPXYQEVCLYNOJOM-UHFFFAOYSA-N
XLogP2.24
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-fluorophenyl)methyl]-5-(furan-2-carbonylamino)-1-methylpyrazole-3-carboxamide
CID 51999079
5-(cyclohexanecarbonylamino)-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide
CID 51999785
5-(furan-2-carbonylamino)-1-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 51999123
5-(furan-2-carbonylamino)-1-methyl-N-(4-phenylmethoxyphenyl)pyrazole-3-carboxamide
CID 51998966
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-(furan-2-carbonylamino)-1-methylpyrazole-3-carboxamide
CID 51999124
1-methyl-6-oxo-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 42161813
N-[4-(2-phenylethylcarbamoylamino)phenyl]furan-2-carboxamide
CID 38205482
N-[2-(4-chlorophenyl)ethyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515222
5-(furan-2-carbonylamino)-1-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pyrazole-3-carboxamide
CID 51998968
N-[2-(3-chlorophenyl)ethyl]-5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carboxamide
CID 51999876
2-(furan-2-carbonylamino)-N-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 90515219
N-[3-[[[N'-methyl-N-(2-phenylethyl)carbamimidoyl]amino]methyl]phenyl]furan-2-carboxamide
CID 111134401

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-carbonylamino)-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide?
The IUPAC name of 5-(furan-2-carbonylamino)-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide (CID 51999001) is 5-(furan-2-carbonylamino)-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-carbonylamino)-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-carbonylamino)-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide is Cn1nc(C(=O)NCCc2ccccc2)cc1NC(=O)c1ccco1.
What is the InChIKey of 5-(furan-2-carbonylamino)-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide?
The InChIKey is PXYQEVCLYNOJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-22-16(20-18(24)15-8-5-11-25-15)12-14(21-22)17(23)19-10-9-13-6-3-2-4-7-13/h2-8,11-12H,9-10H2,1H3,(H,19,23)(H,20,24).
What are the key properties of 5-(furan-2-carbonylamino)-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide?
5-(furan-2-carbonylamino)-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-carbonylamino)-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 51999001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).