N-[2-(dimethylamino)ethyl]-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide

C16H21FN4O2 — CID 42109714

IUPACN-[2-(dimethylamino)ethyl]-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide
SMILESCCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCCN(C)C
InChIInChI=1S/C16H21FN4O2/c1-4-23-14-11-21(13-7-5-12(17)6-8-13)19-15(14)16(22)18-9-10-20(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,18,22)
InChIKeyGIVVPSLPCHDLQS-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.70
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide

N-[2-(dimethylamino)ethyl]-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide (PubChem CID 42109714) has the molecular formula C16H21FN4O2 and a molecular weight of 320.37 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide
PubChem CID42109714
Molecular FormulaC16H21FN4O2
Molecular Weight320.37 g/mol
Exact Mass320.16
IUPAC NameN-[2-(dimethylamino)ethyl]-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide
SMILESCCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCCN(C)C
InChIInChI=1S/C16H21FN4O2/c1-4-23-14-11-21(13-7-5-12(17)6-8-13)19-15(14)16(22)18-9-10-20(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,18,22)
InChIKeyGIVVPSLPCHDLQS-UHFFFAOYSA-N
XLogP1.70
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide (CID 42109714) is N-[2-(dimethylamino)ethyl]-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide is CCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The InChIKey is GIVVPSLPCHDLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O2/c1-4-23-14-11-21(13-7-5-12(17)6-8-13)19-15(14)16(22)18-9-10-20(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,18,22).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide?
N-[2-(dimethylamino)ethyl]-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide has a molecular weight of 320.37 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 42109714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).