N-[(2-fluorophenyl)methyl]-5-(furan-2-carbonylamino)-1-methylpyrazole-3-carboxamide

C17H15FN4O3 — CID 51999079

IUPACN-[(2-fluorophenyl)methyl]-5-(furan-2-carbonylamino)-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCc2ccccc2F)cc1NC(=O)c1ccco1
InChIInChI=1S/C17H15FN4O3/c1-22-15(20-17(24)14-7-4-8-25-14)9-13(21-22)16(23)19-10-11-5-2-3-6-12(11)18/h2-9H,10H2,1H3,(H,19,23)(H,20,24)
InChIKeyLANJULGAEQGZRP-UHFFFAOYSA-N
MW342.33 g/mol
LogP2.33
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-5-(furan-2-carbonylamino)-1-methylpyrazole-3-carboxamide

N-[(2-fluorophenyl)methyl]-5-(furan-2-carbonylamino)-1-methylpyrazole-3-carboxamide (PubChem CID 51999079) has the molecular formula C17H15FN4O3 and a molecular weight of 342.33 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-5-(furan-2-carbonylamino)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-5-(furan-2-carbonylamino)-1-methylpyrazole-3-carboxamide
PubChem CID51999079
Molecular FormulaC17H15FN4O3
Molecular Weight342.33 g/mol
Exact Mass342.11
IUPAC NameN-[(2-fluorophenyl)methyl]-5-(furan-2-carbonylamino)-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCc2ccccc2F)cc1NC(=O)c1ccco1
InChIInChI=1S/C17H15FN4O3/c1-22-15(20-17(24)14-7-4-8-25-14)9-13(21-22)16(23)19-10-11-5-2-3-6-12(11)18/h2-9H,10H2,1H3,(H,19,23)(H,20,24)
InChIKeyLANJULGAEQGZRP-UHFFFAOYSA-N
XLogP2.33
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(furan-2-carbonylamino)-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide
CID 51999001
5-(furan-2-carbonylamino)-1-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 51999123
N-[(2-fluorophenyl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 110685754
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-(furan-2-carbonylamino)-1-methylpyrazole-3-carboxamide
CID 51999124
5-(furan-2-carbonylamino)-1-methyl-N-(4-phenylmethoxyphenyl)pyrazole-3-carboxamide
CID 51998966
N-[3-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]-1-methylpyrazol-5-yl]furan-2-carboxamide
CID 51999108
N-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-1-propylpyrazole-5-carboxamide
CID 42879207
N-[(2-fluorophenyl)methyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 136849754
2-N-[(2-fluorophenyl)methyl]-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085013
1-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]imidazole-4-carboxamide
CID 107495694
5-(furan-2-carbonylamino)-1-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pyrazole-3-carboxamide
CID 51998968
N-[(2-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 110689474

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-5-(furan-2-carbonylamino)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-5-(furan-2-carbonylamino)-1-methylpyrazole-3-carboxamide (CID 51999079) is N-[(2-fluorophenyl)methyl]-5-(furan-2-carbonylamino)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-5-(furan-2-carbonylamino)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-5-(furan-2-carbonylamino)-1-methylpyrazole-3-carboxamide is Cn1nc(C(=O)NCc2ccccc2F)cc1NC(=O)c1ccco1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-5-(furan-2-carbonylamino)-1-methylpyrazole-3-carboxamide?
The InChIKey is LANJULGAEQGZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3/c1-22-15(20-17(24)14-7-4-8-25-14)9-13(21-22)16(23)19-10-11-5-2-3-6-12(11)18/h2-9H,10H2,1H3,(H,19,23)(H,20,24).
What are the key properties of N-[(2-fluorophenyl)methyl]-5-(furan-2-carbonylamino)-1-methylpyrazole-3-carboxamide?
N-[(2-fluorophenyl)methyl]-5-(furan-2-carbonylamino)-1-methylpyrazole-3-carboxamide has a molecular weight of 342.33 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-5-(furan-2-carbonylamino)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 51999079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).