N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2H-chromene-3-carboxamide

C20H16FN3O2 — CID 75538254

IUPACN-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2H-chromene-3-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2F)c1)C1=Cc2ccccc2OC1
InChIInChI=1S/C20H16FN3O2/c21-18-7-3-1-6-15(18)11-24-12-17(10-22-24)23-20(25)16-9-14-5-2-4-8-19(14)26-13-16/h1-10,12H,11,13H2,(H,23,25)
InChIKeyRFYYUZKWWXXEGR-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.48
Rot. Bonds4

About N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2H-chromene-3-carboxamide

N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2H-chromene-3-carboxamide (PubChem CID 75538254) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2H-chromene-3-carboxamide
PubChem CID75538254
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC NameN-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2H-chromene-3-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2F)c1)C1=Cc2ccccc2OC1
InChIInChI=1S/C20H16FN3O2/c21-18-7-3-1-6-15(18)11-24-12-17(10-22-24)23-20(25)16-9-14-5-2-4-8-19(14)26-13-16/h1-10,12H,11,13H2,(H,23,25)
InChIKeyRFYYUZKWWXXEGR-UHFFFAOYSA-N
XLogP3.48
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19502809
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-5-(1H-inden-2-yl)-4-oxocyclohexa-1,5-diene-1-carboxamide
CID 58117251
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]butanamide
CID 19399998
3-(dimethylamino)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 35590668
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide
CID 19399960
N-(4-acetamidophenyl)-2H-chromene-3-carboxamide
CID 7465016
1-[(4-bromopyrazol-1-yl)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19271737
2-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-morpholin-4-ylacetamide
CID 46974742
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19399975
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2,4-dimethoxybenzamide
CID 19399965
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 75768951
6-(1,3-dioxoisoindol-2-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]hexanamide
CID 19399871

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2H-chromene-3-carboxamide?
The IUPAC name of N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2H-chromene-3-carboxamide (CID 75538254) is N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2H-chromene-3-carboxamide?
The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2H-chromene-3-carboxamide is O=C(Nc1cnn(Cc2ccccc2F)c1)C1=Cc2ccccc2OC1.
What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2H-chromene-3-carboxamide?
The InChIKey is RFYYUZKWWXXEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2/c21-18-7-3-1-6-15(18)11-24-12-17(10-22-24)23-20(25)16-9-14-5-2-4-8-19(14)26-13-16/h1-10,12H,11,13H2,(H,23,25).
What are the key properties of N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2H-chromene-3-carboxamide?
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2H-chromene-3-carboxamide has a molecular weight of 349.37 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 75538254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).