1-[2-(dimethylamino)ethyl]-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrazole-3-carboxamide

C17H21FN4O2 — CID 138004756

IUPAC1-[2-(dimethylamino)ethyl]-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrazole-3-carboxamide
SMILESCN(C)CCn1ccc(C(=O)NC2CCOc3ccc(F)cc32)n1
InChIInChI=1S/C17H21FN4O2/c1-21(2)8-9-22-7-5-15(20-22)17(23)19-14-6-10-24-16-4-3-12(18)11-13(14)16/h3-5,7,11,14H,6,8-10H2,1-2H3,(H,19,23)
InChIKeyMSGSQUDIKTYASM-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.84
Rot. Bonds5

About 1-[2-(dimethylamino)ethyl]-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrazole-3-carboxamide

1-[2-(dimethylamino)ethyl]-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrazole-3-carboxamide (PubChem CID 138004756) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrazole-3-carboxamide
PubChem CID138004756
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Name1-[2-(dimethylamino)ethyl]-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrazole-3-carboxamide
SMILESCN(C)CCn1ccc(C(=O)NC2CCOc3ccc(F)cc32)n1
InChIInChI=1S/C17H21FN4O2/c1-21(2)8-9-22-7-5-15(20-22)17(23)19-14-6-10-24-16-4-3-12(18)11-13(14)16/h3-5,7,11,14H,6,8-10H2,1-2H3,(H,19,23)
InChIKeyMSGSQUDIKTYASM-UHFFFAOYSA-N
XLogP1.84
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrazine-2-carboxamide
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N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-imidazol-1-ylpropanamide
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N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropanamide
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1-[2-(dimethylamino)ethyl]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyrazole-3-carboxamide
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1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-propylurea
CID 110750885
1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
CID 136524628
(2R)-2-amino-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrazole-3-carboxamide (CID 138004756) is 1-[2-(dimethylamino)ethyl]-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrazole-3-carboxamide is CN(C)CCn1ccc(C(=O)NC2CCOc3ccc(F)cc32)n1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrazole-3-carboxamide?
The InChIKey is MSGSQUDIKTYASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-21(2)8-9-22-7-5-15(20-22)17(23)19-14-6-10-24-16-4-3-12(18)11-13(14)16/h3-5,7,11,14H,6,8-10H2,1-2H3,(H,19,23).
What are the key properties of 1-[2-(dimethylamino)ethyl]-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrazole-3-carboxamide?
1-[2-(dimethylamino)ethyl]-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrazole-3-carboxamide has a molecular weight of 332.38 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 138004756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).