N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide

C20H21FN4O2 — CID 33129978

IUPACN-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
SMILESCOc1ccc(CN(C)C)cc1NC(=O)c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H21FN4O2/c1-24(2)13-14-4-9-19(27-3)18(12-14)22-20(26)17-10-11-25(23-17)16-7-5-15(21)6-8-16/h4-12H,13H2,1-3H3,(H,22,26)
InChIKeyFBBOXYLRRXASGW-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.33
Rot. Bonds6

About N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide

N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide (PubChem CID 33129978) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
PubChem CID33129978
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC NameN-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
SMILESCOc1ccc(CN(C)C)cc1NC(=O)c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H21FN4O2/c1-24(2)13-14-4-9-19(27-3)18(12-14)22-20(26)17-10-11-25(23-17)16-7-5-15(21)6-8-16/h4-12H,13H2,1-3H3,(H,22,26)
InChIKeyFBBOXYLRRXASGW-UHFFFAOYSA-N
XLogP3.33
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 892441
4-bromo-N-(2-methoxy-5-methylphenyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 712427
N-(4-methoxybenzyl)-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
CID 5015296
4-methoxy-N-[(4-methoxyphenyl)methyl]-1-phenylpyrazole-3-carboxamide
CID 7992549
4-methoxy-N-(2-methoxy-5-methylphenyl)-1-phenylpyrazole-3-carboxamide
CID 7992588
N-{4-[2-(4-Acetylpiperazin-1-yl)ethoxy]-3-(1-methyl-1H-pyrazol-5-yl)phenyl}-3-fluorobenzamide
CID 11655664
N-(2-(4-ethoxybenzamido)ethyl)-1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 11857040
4-[3,4-Dimethyl-2-(4-methylphenyl)-7-oxo-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL]-N-[(4-methoxyphenyl)methyl]butanamide
CID 20919914
N-(2-methoxybenzyl)-1-(3-((2-(methylamino)ethylamino)methyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 25216415
1-(3-((2-aminoethylamino)methyl)phenyl)-N-(2-methoxybenzyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 46879898
N-(5-fluoro-2-methoxybenzyl)-1-(3-((2-(methylamino)ethylamino)methyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 46880096
N-(2-(4-Ethoxybenzamido)ethyl)-3-methyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 46884873

Frequently Asked Questions

What is the IUPAC name of N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The IUPAC name of N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide (CID 33129978) is N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide is COc1ccc(CN(C)C)cc1NC(=O)c1ccn(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The InChIKey is FBBOXYLRRXASGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-24(2)13-14-4-9-19(27-3)18(12-14)22-20(26)17-10-11-25(23-17)16-7-5-15(21)6-8-16/h4-12H,13H2,1-3H3,(H,22,26).
What are the key properties of N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide?
N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 33129978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).