N-[2-(ethylamino)ethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

C17H20N4OS — CID 119505833

IUPACN-[2-(ethylamino)ethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCCNCCNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1
InChIInChI=1S/C17H20N4OS/c1-3-18-9-10-19-16(22)15-11-14-12(2)20-21(17(14)23-15)13-7-5-4-6-8-13/h4-8,11,18H,3,9-10H2,1-2H3,(H,19,22)
InChIKeyIYRRNKJLVKIALX-UHFFFAOYSA-N
MW328.44 g/mol
LogP2.73
Rot. Bonds6

About N-[2-(ethylamino)ethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

N-[2-(ethylamino)ethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 119505833) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID119505833
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC NameN-[2-(ethylamino)ethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCCNCCNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1
InChIInChI=1S/C17H20N4OS/c1-3-18-9-10-19-16(22)15-11-14-12(2)20-21(17(14)23-15)13-7-5-4-6-8-13/h4-8,11,18H,3,9-10H2,1-2H3,(H,19,22)
InChIKeyIYRRNKJLVKIALX-UHFFFAOYSA-N
XLogP2.73
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethylcarbamic acid
CID 66819117
3-methyl-N-[7-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]heptyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 3134145
diethyl-[2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethyl]azanium
CID 9315070
1-(2-chlorophenyl)-N-[2-(ethylamino)ethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119509052
N-[3-(dimethylamino)propyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 78781187
N-(3-butoxypropyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 27682809
3-methyl-N'-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide
CID 3226614
N-(2-amino-2-methylpropyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 119626981
3-methyl-1-phenyl-N-(3-pyrazol-1-ylpropyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 37394030
N-[3-[ethyl(methylsulfonyl)amino]propyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 52718736
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 55948416
N-[(2-fluorophenyl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 9107251

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (CID 119505833) is N-[2-(ethylamino)ethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is CCNCCNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1.
What is the InChIKey of N-[2-(ethylamino)ethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is IYRRNKJLVKIALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c1-3-18-9-10-19-16(22)15-11-14-12(2)20-21(17(14)23-15)13-7-5-4-6-8-13/h4-8,11,18H,3,9-10H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(ethylamino)ethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
N-[2-(ethylamino)ethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 119505833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).