N-[1-[4-(3,5-dimethylpyrazol-1-yl)-3-fluoroanilino]-1-oxopropan-2-yl]furan-3-carboxamide

C19H19FN4O3 — CID 55949531

IUPACN-[1-[4-(3,5-dimethylpyrazol-1-yl)-3-fluoroanilino]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)C(C)NC(=O)c3ccoc3)cc2F)n1
InChIInChI=1S/C19H19FN4O3/c1-11-8-12(2)24(23-11)17-5-4-15(9-16(17)20)22-18(25)13(3)21-19(26)14-6-7-27-10-14/h4-10,13H,1-3H3,(H,21,26)(H,22,25)
InChIKeyPYJQPOUDUVUSAJ-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.98
Rot. Bonds5

About N-[1-[4-(3,5-dimethylpyrazol-1-yl)-3-fluoroanilino]-1-oxopropan-2-yl]furan-3-carboxamide

N-[1-[4-(3,5-dimethylpyrazol-1-yl)-3-fluoroanilino]-1-oxopropan-2-yl]furan-3-carboxamide (PubChem CID 55949531) has the molecular formula C19H19FN4O3 and a molecular weight of 370.38 g/mol. Its IUPAC name is N-[1-[4-(3,5-dimethylpyrazol-1-yl)-3-fluoroanilino]-1-oxopropan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(3,5-dimethylpyrazol-1-yl)-3-fluoroanilino]-1-oxopropan-2-yl]furan-3-carboxamide
PubChem CID55949531
Molecular FormulaC19H19FN4O3
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC NameN-[1-[4-(3,5-dimethylpyrazol-1-yl)-3-fluoroanilino]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)C(C)NC(=O)c3ccoc3)cc2F)n1
InChIInChI=1S/C19H19FN4O3/c1-11-8-12(2)24(23-11)17-5-4-15(9-16(17)20)22-18(25)13(3)21-19(26)14-6-7-27-10-14/h4-10,13H,1-3H3,(H,21,26)(H,22,25)
InChIKeyPYJQPOUDUVUSAJ-UHFFFAOYSA-N
XLogP2.98
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-methylpentanamide
CID 119731557
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-hydroxy-2-phenylacetamide
CID 111536844
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 51085319
(2S)-2-amino-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-methylsulfanylbutanamide
CID 119293767
N-[1-[3-(cyclohexanecarbonylamino)-4-fluoroanilino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 47057222
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-(2-methoxyethylamino)acetamide
CID 119731551
2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]-4-methylpentanoic acid
CID 119188115
4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-[(3R)-1-hydroxy-4-methylpentan-3-yl]benzamide
CID 96540104
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119731550
1-chloro-3-[4-(3,5-dimethylpyrazol-1-yl)-3-fluoroanilino]propan-2-ol
CID 168639986
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 55891126
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-(4-methylpyrazol-1-yl)benzamide
CID 55892665

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(3,5-dimethylpyrazol-1-yl)-3-fluoroanilino]-1-oxopropan-2-yl]furan-3-carboxamide?
The IUPAC name of N-[1-[4-(3,5-dimethylpyrazol-1-yl)-3-fluoroanilino]-1-oxopropan-2-yl]furan-3-carboxamide (CID 55949531) is N-[1-[4-(3,5-dimethylpyrazol-1-yl)-3-fluoroanilino]-1-oxopropan-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[1-[4-(3,5-dimethylpyrazol-1-yl)-3-fluoroanilino]-1-oxopropan-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[1-[4-(3,5-dimethylpyrazol-1-yl)-3-fluoroanilino]-1-oxopropan-2-yl]furan-3-carboxamide is Cc1cc(C)n(-c2ccc(NC(=O)C(C)NC(=O)c3ccoc3)cc2F)n1.
What is the InChIKey of N-[1-[4-(3,5-dimethylpyrazol-1-yl)-3-fluoroanilino]-1-oxopropan-2-yl]furan-3-carboxamide?
The InChIKey is PYJQPOUDUVUSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3/c1-11-8-12(2)24(23-11)17-5-4-15(9-16(17)20)22-18(25)13(3)21-19(26)14-6-7-27-10-14/h4-10,13H,1-3H3,(H,21,26)(H,22,25).
What are the key properties of N-[1-[4-(3,5-dimethylpyrazol-1-yl)-3-fluoroanilino]-1-oxopropan-2-yl]furan-3-carboxamide?
N-[1-[4-(3,5-dimethylpyrazol-1-yl)-3-fluoroanilino]-1-oxopropan-2-yl]furan-3-carboxamide has a molecular weight of 370.38 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(3,5-dimethylpyrazol-1-yl)-3-fluoroanilino]-1-oxopropan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 55949531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).