N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide

C20H25N5OS — CID 60510440

IUPACN-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCCN(CC)C(CNC(=O)c1cnn(-c2ccccn2)c1C)c1ccsc1
InChIInChI=1S/C20H25N5OS/c1-4-24(5-2)18(16-9-11-27-14-16)13-22-20(26)17-12-23-25(15(17)3)19-8-6-7-10-21-19/h6-12,14,18H,4-5,13H2,1-3H3,(H,22,26)
InChIKeySQCAKAKUWPZXEV-UHFFFAOYSA-N
MW383.52 g/mol
LogP3.45
Rot. Bonds8

About N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide

N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 60510440) has the molecular formula C20H25N5OS and a molecular weight of 383.52 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID60510440
Molecular FormulaC20H25N5OS
Molecular Weight383.52 g/mol
Exact Mass383.18
IUPAC NameN-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCCN(CC)C(CNC(=O)c1cnn(-c2ccccn2)c1C)c1ccsc1
InChIInChI=1S/C20H25N5OS/c1-4-24(5-2)18(16-9-11-27-14-16)13-22-20(26)17-12-23-25(15(17)3)19-8-6-7-10-21-19/h6-12,14,18H,4-5,13H2,1-3H3,(H,22,26)
InChIKeySQCAKAKUWPZXEV-UHFFFAOYSA-N
XLogP3.45
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 33089744
N-[2-(2-hydroxyethyl)pentyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 111662368
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 43060829
N-[2-(diethylamino)-2-phenylethyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 46578214
5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 10998462
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55843155
1-(2-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylpyrazole-4-carboxamide
CID 111441239
N-(2-aminoethyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793385
N-(2-hydroxy-2,3-dimethylbutyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 111484404
5-methyl-N-octyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793376
N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-2-methyl-5-nitropyridine-3-carboxamide
CID 51941884
N-ethyl-5-methyl-N-phenyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 46481510

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide (CID 60510440) is N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide is CCN(CC)C(CNC(=O)c1cnn(-c2ccccn2)c1C)c1ccsc1.
What is the InChIKey of N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is SQCAKAKUWPZXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5OS/c1-4-24(5-2)18(16-9-11-27-14-16)13-22-20(26)17-12-23-25(15(17)3)19-8-6-7-10-21-19/h6-12,14,18H,4-5,13H2,1-3H3,(H,22,26).
What are the key properties of N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 383.52 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 60510440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).