N-(3-fluoro-4-methylphenyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide

C18H14FN3O2 — CID 20954219

IUPACN-(3-fluoro-4-methylphenyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2[nH]nc3c2COc2ccccc2-3)cc1F
InChIInChI=1S/C18H14FN3O2/c1-10-6-7-11(8-14(10)19)20-18(23)17-13-9-24-15-5-3-2-4-12(15)16(13)21-22-17/h2-8H,9H2,1H3,(H,20,23)(H,21,22)
InChIKeyZZHCJRGOJDMGQE-UHFFFAOYSA-N
MW323.33 g/mol
LogP3.67
Rot. Bonds2

About N-(3-fluoro-4-methylphenyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide

N-(3-fluoro-4-methylphenyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide (PubChem CID 20954219) has the molecular formula C18H14FN3O2 and a molecular weight of 323.33 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
PubChem CID20954219
Molecular FormulaC18H14FN3O2
Molecular Weight323.33 g/mol
Exact Mass323.11
IUPAC NameN-(3-fluoro-4-methylphenyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2[nH]nc3c2COc2ccccc2-3)cc1F
InChIInChI=1S/C18H14FN3O2/c1-10-6-7-11(8-14(10)19)20-18(23)17-13-9-24-15-5-3-2-4-12(15)16(13)21-22-17/h2-8H,9H2,1H3,(H,20,23)(H,21,22)
InChIKeyZZHCJRGOJDMGQE-UHFFFAOYSA-N
XLogP3.67
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-1-phenylethyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
CID 91820892
N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
CID 50765544
8-fluoro-7-methyl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid
CID 67305081
N-[2-[4-(dimethylamino)phenyl]ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
CID 46981456
methyl 2-(2,4-dihydrochromeno[4,3-c]pyrazole-3-carbonylamino)-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 75488971
N-(3-piperidin-1-ylpropyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
CID 20954247
N-[2-(cyclohexen-1-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
CID 20954225
N-(3-fluoro-4-methylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 4163290
N-(2-carbamoylphenyl)-N-methyl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
CID 67305110
N-(4-ethylphenyl)-2,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxamide
CID 6625708
5-amino-N-(3-fluoro-4-methylphenyl)-1H-indazole-3-carboxamide
CID 60904871
2-fluoro-N-(3-fluoro-4-methylphenyl)-3-methylbenzamide
CID 80718596

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide (CID 20954219) is N-(3-fluoro-4-methylphenyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide is Cc1ccc(NC(=O)c2[nH]nc3c2COc2ccccc2-3)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide?
The InChIKey is ZZHCJRGOJDMGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2/c1-10-6-7-11(8-14(10)19)20-18(23)17-13-9-24-15-5-3-2-4-12(15)16(13)21-22-17/h2-8H,9H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide?
N-(3-fluoro-4-methylphenyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide has a molecular weight of 323.33 g/mol, XLogP of 3.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide is sourced from PubChem (CID 20954219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).