N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide

C20H23FN4OS — CID 46593202

IUPACN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NCC(c1ccsc1)N(C)C
InChIInChI=1S/C20H23FN4OS/c1-13-19(14(2)25(23-13)17-7-5-16(21)6-8-17)20(26)22-11-18(24(3)4)15-9-10-27-12-15/h5-10,12,18H,11H2,1-4H3,(H,22,26)
InChIKeyGGKCJQKOFSVMQA-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.72
Rot. Bonds6

About N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide

N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide (PubChem CID 46593202) has the molecular formula C20H23FN4OS and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
PubChem CID46593202
Molecular FormulaC20H23FN4OS
Molecular Weight386.50 g/mol
Exact Mass386.16
IUPAC NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NCC(c1ccsc1)N(C)C
InChIInChI=1S/C20H23FN4OS/c1-13-19(14(2)25(23-13)17-7-5-16(21)6-8-17)20(26)22-11-18(24(3)4)15-9-10-27-12-15/h5-10,12,18H,11H2,1-4H3,(H,22,26)
InChIKeyGGKCJQKOFSVMQA-UHFFFAOYSA-N
XLogP3.72
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-2-oxoacetamide
CID 46592151
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 42953752
1-(4-fluorophenyl)-3,5-dimethyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide;hydrochloride
CID 119502383
1-(4-fluorophenyl)-3,5-dimethyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
CID 46512755
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 33089744
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2,6-dimethoxybenzamide
CID 16931120
1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide
CID 46592184
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 51150933
1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(4-fluorophenyl)methyl]urea
CID 30606373
1-(4-chlorophenyl)-3,5-dimethyl-N-(2-methylpropyl)pyrazole-4-carboxamide
CID 24712291
N-[2-(ethylamino)ethyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide;hydrochloride
CID 119507312
1-(4-bromophenyl)-3,5-dimethyl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide
CID 55859706

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide (CID 46593202) is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide is Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NCC(c1ccsc1)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide?
The InChIKey is GGKCJQKOFSVMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4OS/c1-13-19(14(2)25(23-13)17-7-5-16(21)6-8-17)20(26)22-11-18(24(3)4)15-9-10-27-12-15/h5-10,12,18H,11H2,1-4H3,(H,22,26).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide?
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 46593202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).