6-chloro-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-3,4-dihydro-2H-chromene-4-carboxamide

C15H14ClF2N3O2 — CID 156906170

IUPAC6-chloro-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-3,4-dihydro-2H-chromene-4-carboxamide
SMILESCn1ncc(NC(=O)C2CCOc3ccc(Cl)cc32)c1C(F)F
InChIInChI=1S/C15H14ClF2N3O2/c1-21-13(14(17)18)11(7-19-21)20-15(22)9-4-5-23-12-3-2-8(16)6-10(9)12/h2-3,6-7,9,14H,4-5H2,1H3,(H,20,22)
InChIKeyWXPXRTGXFZBWNT-UHFFFAOYSA-N
MW341.75 g/mol
LogP3.52
Rot. Bonds3

About 6-chloro-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-3,4-dihydro-2H-chromene-4-carboxamide

6-chloro-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-3,4-dihydro-2H-chromene-4-carboxamide (PubChem CID 156906170) has the molecular formula C15H14ClF2N3O2 and a molecular weight of 341.75 g/mol. Its IUPAC name is 6-chloro-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-3,4-dihydro-2H-chromene-4-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-3,4-dihydro-2H-chromene-4-carboxamide
PubChem CID156906170
Molecular FormulaC15H14ClF2N3O2
Molecular Weight341.75 g/mol
Exact Mass341.07
IUPAC Name6-chloro-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-3,4-dihydro-2H-chromene-4-carboxamide
SMILESCn1ncc(NC(=O)C2CCOc3ccc(Cl)cc32)c1C(F)F
InChIInChI=1S/C15H14ClF2N3O2/c1-21-13(14(17)18)11(7-19-21)20-15(22)9-4-5-23-12-3-2-8(16)6-10(9)12/h2-3,6-7,9,14H,4-5H2,1H3,(H,20,22)
InChIKeyWXPXRTGXFZBWNT-UHFFFAOYSA-N
XLogP3.52
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.75
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-3,4-dihydro-2H-chromene-4-carboxamide?
The IUPAC name of 6-chloro-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-3,4-dihydro-2H-chromene-4-carboxamide (CID 156906170) is 6-chloro-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-3,4-dihydro-2H-chromene-4-carboxamide.
What is the SMILES notation for 6-chloro-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-3,4-dihydro-2H-chromene-4-carboxamide?
The canonical SMILES for 6-chloro-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-3,4-dihydro-2H-chromene-4-carboxamide is Cn1ncc(NC(=O)C2CCOc3ccc(Cl)cc32)c1C(F)F.
What is the InChIKey of 6-chloro-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-3,4-dihydro-2H-chromene-4-carboxamide?
The InChIKey is WXPXRTGXFZBWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2N3O2/c1-21-13(14(17)18)11(7-19-21)20-15(22)9-4-5-23-12-3-2-8(16)6-10(9)12/h2-3,6-7,9,14H,4-5H2,1H3,(H,20,22).
What are the key properties of 6-chloro-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-3,4-dihydro-2H-chromene-4-carboxamide?
6-chloro-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-3,4-dihydro-2H-chromene-4-carboxamide has a molecular weight of 341.75 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-3,4-dihydro-2H-chromene-4-carboxamide is sourced from PubChem (CID 156906170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).