N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-phenylpyrazole-3-carboxamide

C21H26N4OS — CID 55843155

IUPACN-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
SMILESCCN(CC)C(CNC(=O)c1cc(C)n(-c2ccccc2)n1)c1ccsc1
InChIInChI=1S/C21H26N4OS/c1-4-24(5-2)20(17-11-12-27-15-17)14-22-21(26)19-13-16(3)25(23-19)18-9-7-6-8-10-18/h6-13,15,20H,4-5,14H2,1-3H3,(H,22,26)
InChIKeySHRDVMVVDYOCKO-UHFFFAOYSA-N
MW382.53 g/mol
LogP4.06
Rot. Bonds8

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

N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-phenylpyrazole-3-carboxamide (PubChem CID 55843155) has the molecular formula C21H26N4OS and a molecular weight of 382.53 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
PubChem CID55843155
Molecular FormulaC21H26N4OS
Molecular Weight382.53 g/mol
Exact Mass382.18
IUPAC NameN-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
SMILESCCN(CC)C(CNC(=O)c1cc(C)n(-c2ccccc2)n1)c1ccsc1
InChIInChI=1S/C21H26N4OS/c1-4-24(5-2)20(17-11-12-27-15-17)14-22-21(26)19-13-16(3)25(23-19)18-9-7-6-8-10-18/h6-13,15,20H,4-5,14H2,1-3H3,(H,22,26)
InChIKeySHRDVMVVDYOCKO-UHFFFAOYSA-N
XLogP4.06
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-1-phenyl-N-(2-phenylbutyl)pyrazole-3-carboxamide
CID 55756841
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 42953752
1-(3-chlorophenyl)-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-methyltriazole-4-carboxamide
CID 55911178
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 33089744
N-(4-hydroxy-2-methylpentyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 111447022
N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 39212835
5-methyl-N-(3-methyl-2-oxobutyl)-1-phenylpyrazole-3-carboxamide
CID 142965517
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 60510440
N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 111662424
5-bromo-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]pyridine-3-carboxamide
CID 39214471
2-(aminomethyl)-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119849775
2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-phenylacetamide;dihydrochloride
CID 119849729

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-phenylpyrazole-3-carboxamide (CID 55843155) is N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-phenylpyrazole-3-carboxamide is CCN(CC)C(CNC(=O)c1cc(C)n(-c2ccccc2)n1)c1ccsc1.
What is the InChIKey of N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-phenylpyrazole-3-carboxamide?
The InChIKey is SHRDVMVVDYOCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4OS/c1-4-24(5-2)20(17-11-12-27-15-17)14-22-21(26)19-13-16(3)25(23-19)18-9-7-6-8-10-18/h6-13,15,20H,4-5,14H2,1-3H3,(H,22,26).
What are the key properties of N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-phenylpyrazole-3-carboxamide?
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-phenylpyrazole-3-carboxamide has a molecular weight of 382.53 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 55843155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).