1-(difluoromethyl)-N-(3,4-dihydro-2H-chromen-6-ylmethyl)pyrazole-3-carboxamide

C15H15F2N3O2 — CID 91792056

IUPAC1-(difluoromethyl)-N-(3,4-dihydro-2H-chromen-6-ylmethyl)pyrazole-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)CCCO2)c1ccn(C(F)F)n1
InChIInChI=1S/C15H15F2N3O2/c16-15(17)20-6-5-12(19-20)14(21)18-9-10-3-4-13-11(8-10)2-1-7-22-13/h3-6,8,15H,1-2,7,9H2,(H,18,21)
InChIKeyBRTJVQNPQIDAPY-UHFFFAOYSA-N
MW307.30 g/mol
LogP2.53
Rot. Bonds4

About 1-(difluoromethyl)-N-(3,4-dihydro-2H-chromen-6-ylmethyl)pyrazole-3-carboxamide

1-(difluoromethyl)-N-(3,4-dihydro-2H-chromen-6-ylmethyl)pyrazole-3-carboxamide (PubChem CID 91792056) has the molecular formula C15H15F2N3O2 and a molecular weight of 307.30 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-(3,4-dihydro-2H-chromen-6-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-(3,4-dihydro-2H-chromen-6-ylmethyl)pyrazole-3-carboxamide
PubChem CID91792056
Molecular FormulaC15H15F2N3O2
Molecular Weight307.30 g/mol
Exact Mass307.11
IUPAC Name1-(difluoromethyl)-N-(3,4-dihydro-2H-chromen-6-ylmethyl)pyrazole-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)CCCO2)c1ccn(C(F)F)n1
InChIInChI=1S/C15H15F2N3O2/c16-15(17)20-6-5-12(19-20)14(21)18-9-10-3-4-13-11(8-10)2-1-7-22-13/h3-6,8,15H,1-2,7,9H2,(H,18,21)
InChIKeyBRTJVQNPQIDAPY-UHFFFAOYSA-N
XLogP2.53
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 122563750
N-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclobutanecarboxamide
CID 110784247
3-amino-N-(3,4-dihydro-2H-chromen-6-ylmethyl)propanamide
CID 82496307
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(dimethylamino)-2-(4-fluorophenyl)acetamide
CID 118793968
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 91789332
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyridine-4-carboxamide;hydrochloride
CID 110787070
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-propanoylpyrimidine-4-carboxamide
CID 142891379
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-4-(2,4-dioxoimidazolidin-1-yl)benzamide
CID 72922585
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-difluorobenzamide
CID 110787075
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(dimethylamino)benzamide
CID 2738883
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-(1-methylpyrazol-4-yl)benzamide
CID 170510996
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]acetamide
CID 47073790

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-(3,4-dihydro-2H-chromen-6-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(difluoromethyl)-N-(3,4-dihydro-2H-chromen-6-ylmethyl)pyrazole-3-carboxamide (CID 91792056) is 1-(difluoromethyl)-N-(3,4-dihydro-2H-chromen-6-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-N-(3,4-dihydro-2H-chromen-6-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-N-(3,4-dihydro-2H-chromen-6-ylmethyl)pyrazole-3-carboxamide is O=C(NCc1ccc2c(c1)CCCO2)c1ccn(C(F)F)n1.
What is the InChIKey of 1-(difluoromethyl)-N-(3,4-dihydro-2H-chromen-6-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is BRTJVQNPQIDAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O2/c16-15(17)20-6-5-12(19-20)14(21)18-9-10-3-4-13-11(8-10)2-1-7-22-13/h3-6,8,15H,1-2,7,9H2,(H,18,21).
What are the key properties of 1-(difluoromethyl)-N-(3,4-dihydro-2H-chromen-6-ylmethyl)pyrazole-3-carboxamide?
1-(difluoromethyl)-N-(3,4-dihydro-2H-chromen-6-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 307.30 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-(3,4-dihydro-2H-chromen-6-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 91792056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).