5-bromo-N-[1-(difluoromethyl)pyrazol-3-yl]-3,4-dihydro-2H-chromene-8-carboxamide

C14H12BrF2N3O2 — CID 167840668

IUPAC5-bromo-N-[1-(difluoromethyl)pyrazol-3-yl]-3,4-dihydro-2H-chromene-8-carboxamide
SMILESO=C(Nc1ccn(C(F)F)n1)c1ccc(Br)c2c1OCCC2
InChIInChI=1S/C14H12BrF2N3O2/c15-10-4-3-9(12-8(10)2-1-7-22-12)13(21)18-11-5-6-20(19-11)14(16)17/h3-6,14H,1-2,7H2,(H,18,19,21)
InChIKeyGDVIKPWOIBXNLD-UHFFFAOYSA-N
MW372.17 g/mol
LogP3.62
Rot. Bonds3

About 5-bromo-N-[1-(difluoromethyl)pyrazol-3-yl]-3,4-dihydro-2H-chromene-8-carboxamide

5-bromo-N-[1-(difluoromethyl)pyrazol-3-yl]-3,4-dihydro-2H-chromene-8-carboxamide (PubChem CID 167840668) has the molecular formula C14H12BrF2N3O2 and a molecular weight of 372.17 g/mol. Its IUPAC name is 5-bromo-N-[1-(difluoromethyl)pyrazol-3-yl]-3,4-dihydro-2H-chromene-8-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-(difluoromethyl)pyrazol-3-yl]-3,4-dihydro-2H-chromene-8-carboxamide
PubChem CID167840668
Molecular FormulaC14H12BrF2N3O2
Molecular Weight372.17 g/mol
Exact Mass371.01
IUPAC Name5-bromo-N-[1-(difluoromethyl)pyrazol-3-yl]-3,4-dihydro-2H-chromene-8-carboxamide
SMILESO=C(Nc1ccn(C(F)F)n1)c1ccc(Br)c2c1OCCC2
InChIInChI=1S/C14H12BrF2N3O2/c15-10-4-3-9(12-8(10)2-1-7-22-12)13(21)18-11-5-6-20(19-11)14(16)17/h3-6,14H,1-2,7H2,(H,18,19,21)
InChIKeyGDVIKPWOIBXNLD-UHFFFAOYSA-N
XLogP3.62
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.17
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(difluoromethyl)pyrazol-3-yl]-3,4-dihydro-2H-chromene-8-carboxamide?
The IUPAC name of 5-bromo-N-[1-(difluoromethyl)pyrazol-3-yl]-3,4-dihydro-2H-chromene-8-carboxamide (CID 167840668) is 5-bromo-N-[1-(difluoromethyl)pyrazol-3-yl]-3,4-dihydro-2H-chromene-8-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-(difluoromethyl)pyrazol-3-yl]-3,4-dihydro-2H-chromene-8-carboxamide?
The canonical SMILES for 5-bromo-N-[1-(difluoromethyl)pyrazol-3-yl]-3,4-dihydro-2H-chromene-8-carboxamide is O=C(Nc1ccn(C(F)F)n1)c1ccc(Br)c2c1OCCC2.
What is the InChIKey of 5-bromo-N-[1-(difluoromethyl)pyrazol-3-yl]-3,4-dihydro-2H-chromene-8-carboxamide?
The InChIKey is GDVIKPWOIBXNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2N3O2/c15-10-4-3-9(12-8(10)2-1-7-22-12)13(21)18-11-5-6-20(19-11)14(16)17/h3-6,14H,1-2,7H2,(H,18,19,21).
What are the key properties of 5-bromo-N-[1-(difluoromethyl)pyrazol-3-yl]-3,4-dihydro-2H-chromene-8-carboxamide?
5-bromo-N-[1-(difluoromethyl)pyrazol-3-yl]-3,4-dihydro-2H-chromene-8-carboxamide has a molecular weight of 372.17 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(difluoromethyl)pyrazol-3-yl]-3,4-dihydro-2H-chromene-8-carboxamide is sourced from PubChem (CID 167840668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).