N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-phenylpyrazole-4-carboxamide

C19H22N4OS — CID 33089744

IUPACN-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NC[C@H](c2ccsc2)N(C)C)cnn1-c1ccccc1
InChIInChI=1S/C19H22N4OS/c1-14-17(11-21-23(14)16-7-5-4-6-8-16)19(24)20-12-18(22(2)3)15-9-10-25-13-15/h4-11,13,18H,12H2,1-3H3,(H,20,24)/t18-/m1/s1
InChIKeyHBWCANAFWRCBJA-GOSISDBHSA-N
MW354.48 g/mol
LogP3.27
Rot. Bonds6

About N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-phenylpyrazole-4-carboxamide

N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 33089744) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID33089744
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC NameN-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NC[C@H](c2ccsc2)N(C)C)cnn1-c1ccccc1
InChIInChI=1S/C19H22N4OS/c1-14-17(11-21-23(14)16-7-5-4-6-8-16)19(24)20-12-18(22(2)3)15-9-10-25-13-15/h4-11,13,18H,12H2,1-3H3,(H,20,24)/t18-/m1/s1
InChIKeyHBWCANAFWRCBJA-GOSISDBHSA-N
XLogP3.27
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 43060829
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 60510440
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 33093022
2-bromo-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]benzamide
CID 16931182
1-(2-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylpyrazole-4-carboxamide
CID 111441239
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 32635611
N-[2-(diethylamino)-2-phenylethyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 46578214
N-[(2R)-2-(ethylamino)propyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 120652379
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 32632343
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55843155
1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide
CID 46592184
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 46593202

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-phenylpyrazole-4-carboxamide (CID 33089744) is N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-phenylpyrazole-4-carboxamide is Cc1c(C(=O)NC[C@H](c2ccsc2)N(C)C)cnn1-c1ccccc1.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is HBWCANAFWRCBJA-GOSISDBHSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-14-17(11-21-23(14)16-7-5-4-6-8-16)19(24)20-12-18(22(2)3)15-9-10-25-13-15/h4-11,13,18H,12H2,1-3H3,(H,20,24)/t18-/m1/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-phenylpyrazole-4-carboxamide?
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 354.48 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 33089744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).