N-methyl-N-(oxan-4-yl)-5-(1-phenylpyrazol-4-yl)furan-2-carboxamide

C20H21N3O3 — CID 168858474

IUPACN-methyl-N-(oxan-4-yl)-5-(1-phenylpyrazol-4-yl)furan-2-carboxamide
SMILESCN(C(=O)c1ccc(-c2cnn(-c3ccccc3)c2)o1)C1CCOCC1
InChIInChI=1S/C20H21N3O3/c1-22(16-9-11-25-12-10-16)20(24)19-8-7-18(26-19)15-13-21-23(14-15)17-5-3-2-4-6-17/h2-8,13-14,16H,9-12H2,1H3
InChIKeyGXFLRUAKJGICSK-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.38
Rot. Bonds4

About N-methyl-N-(oxan-4-yl)-5-(1-phenylpyrazol-4-yl)furan-2-carboxamide

N-methyl-N-(oxan-4-yl)-5-(1-phenylpyrazol-4-yl)furan-2-carboxamide (PubChem CID 168858474) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-methyl-N-(oxan-4-yl)-5-(1-phenylpyrazol-4-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-4-yl)-5-(1-phenylpyrazol-4-yl)furan-2-carboxamide
PubChem CID168858474
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-methyl-N-(oxan-4-yl)-5-(1-phenylpyrazol-4-yl)furan-2-carboxamide
SMILESCN(C(=O)c1ccc(-c2cnn(-c3ccccc3)c2)o1)C1CCOCC1
InChIInChI=1S/C20H21N3O3/c1-22(16-9-11-25-12-10-16)20(24)19-8-7-18(26-19)15-13-21-23(14-15)17-5-3-2-4-6-17/h2-8,13-14,16H,9-12H2,1H3
InChIKeyGXFLRUAKJGICSK-UHFFFAOYSA-N
XLogP3.38
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-(oxan-4-yl)-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 168858509
N-methyl-1-phenyl-N-piperidin-4-ylpyrazole-4-carboxamide
CID 43602271
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-1-phenylpyrazole-4-carboxamide
CID 38832303
3-benzyl-1-methyl-1-(oxan-4-yl)urea
CID 103717227
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide
CID 18152365
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-N-methyl-5-phenylfuran-2-carboxamide
CID 71194814
N-[(1-methylpiperidin-4-yl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 167828406
N,N-dimethyl-1-phenylpyrazole-4-carboxamide
CID 22103774
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-4-(1-phenylpyrazol-4-yl)-1H-pyrrole-3-carboxamide
CID 166195374
N-cyclopentyl-N-ethyl-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 168858531
N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-1-phenylpyrazole-4-carboxamide
CID 42344868
2-amino-N-methyl-N-(oxan-4-yl)benzamide
CID 43610601

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-4-yl)-5-(1-phenylpyrazol-4-yl)furan-2-carboxamide?
The IUPAC name of N-methyl-N-(oxan-4-yl)-5-(1-phenylpyrazol-4-yl)furan-2-carboxamide (CID 168858474) is N-methyl-N-(oxan-4-yl)-5-(1-phenylpyrazol-4-yl)furan-2-carboxamide.
What is the SMILES notation for N-methyl-N-(oxan-4-yl)-5-(1-phenylpyrazol-4-yl)furan-2-carboxamide?
The canonical SMILES for N-methyl-N-(oxan-4-yl)-5-(1-phenylpyrazol-4-yl)furan-2-carboxamide is CN(C(=O)c1ccc(-c2cnn(-c3ccccc3)c2)o1)C1CCOCC1.
What is the InChIKey of N-methyl-N-(oxan-4-yl)-5-(1-phenylpyrazol-4-yl)furan-2-carboxamide?
The InChIKey is GXFLRUAKJGICSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-22(16-9-11-25-12-10-16)20(24)19-8-7-18(26-19)15-13-21-23(14-15)17-5-3-2-4-6-17/h2-8,13-14,16H,9-12H2,1H3.
What are the key properties of N-methyl-N-(oxan-4-yl)-5-(1-phenylpyrazol-4-yl)furan-2-carboxamide?
N-methyl-N-(oxan-4-yl)-5-(1-phenylpyrazol-4-yl)furan-2-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-4-yl)-5-(1-phenylpyrazol-4-yl)furan-2-carboxamide is sourced from PubChem (CID 168858474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).