N-(2-fluorophenyl)-N,1-dimethyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide

C19H16FN3O2 — CID 22516889

IUPACN-(2-fluorophenyl)-N,1-dimethyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESCN(C(=O)c1nn(C)c2c1COc1ccccc1-2)c1ccccc1F
InChIInChI=1S/C19H16FN3O2/c1-22(15-9-5-4-8-14(15)20)19(24)17-13-11-25-16-10-6-3-7-12(16)18(13)23(2)21-17/h3-10H,11H2,1-2H3
InChIKeyOBERYDVLVNXWRI-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.40
Rot. Bonds2

About N-(2-fluorophenyl)-N,1-dimethyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide

N-(2-fluorophenyl)-N,1-dimethyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide (PubChem CID 22516889) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N,1-dimethyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N,1-dimethyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
PubChem CID22516889
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC NameN-(2-fluorophenyl)-N,1-dimethyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESCN(C(=O)c1nn(C)c2c1COc1ccccc1-2)c1ccccc1F
InChIInChI=1S/C19H16FN3O2/c1-22(15-9-5-4-8-14(15)20)19(24)17-13-11-25-16-10-6-3-7-12(16)18(13)23(2)21-17/h3-10H,11H2,1-2H3
InChIKeyOBERYDVLVNXWRI-UHFFFAOYSA-N
XLogP3.40
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N,1-dimethyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-N,1-dimethyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide (CID 22516889) is N-(2-fluorophenyl)-N,1-dimethyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-N,1-dimethyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-N,1-dimethyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide is CN(C(=O)c1nn(C)c2c1COc1ccccc1-2)c1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-N,1-dimethyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The InChIKey is OBERYDVLVNXWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2/c1-22(15-9-5-4-8-14(15)20)19(24)17-13-11-25-16-10-6-3-7-12(16)18(13)23(2)21-17/h3-10H,11H2,1-2H3.
What are the key properties of N-(2-fluorophenyl)-N,1-dimethyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
N-(2-fluorophenyl)-N,1-dimethyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide has a molecular weight of 337.35 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N,1-dimethyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 22516889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).