N-(2-hydroxyethyl)-N,3-dimethyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

C16H17N3O2S — CID 110878059

IUPACN-(2-hydroxyethyl)-N,3-dimethyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)N(C)CCO)cc12
InChIInChI=1S/C16H17N3O2S/c1-11-13-10-14(15(21)18(2)8-9-20)22-16(13)19(17-11)12-6-4-3-5-7-12/h3-7,10,20H,8-9H2,1-2H3
InChIKeyJRQHJUZCRAPCGF-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.46
Rot. Bonds4

About N-(2-hydroxyethyl)-N,3-dimethyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

N-(2-hydroxyethyl)-N,3-dimethyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 110878059) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N,3-dimethyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N,3-dimethyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID110878059
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-(2-hydroxyethyl)-N,3-dimethyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)N(C)CCO)cc12
InChIInChI=1S/C16H17N3O2S/c1-11-13-10-14(15(21)18(2)8-9-20)22-16(13)19(17-11)12-6-4-3-5-7-12/h3-7,10,20H,8-9H2,1-2H3
InChIKeyJRQHJUZCRAPCGF-UHFFFAOYSA-N
XLogP2.46
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-hydroxyethyl)-N,3-dimethyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-hydroxyethyl)-3-methyl-1-phenyl-N-propylthieno[3,2-d]pyrazole-5-carboxamide
CID 110878541
N-(3-amino-4-methylpentyl)-N,3-dimethyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 119658366
N-[3-(dimethylamino)propyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 78781187
N,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 51126802
N-benzyl-1-(4-fluorophenyl)-N,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 27665838
3-methyl-N'-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide
CID 3226614
2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethylcarbamic acid
CID 66819117
N-benzyl-N-(2-methoxyethyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 27826735
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
N-(2-amino-2-methylpropyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 119626981
methyl 2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-propan-2-ylamino]acetate
CID 78885487
N-[3-[ethyl(methylsulfonyl)amino]propyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 52718736

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N,3-dimethyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N,3-dimethyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (CID 110878059) is N-(2-hydroxyethyl)-N,3-dimethyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N,3-dimethyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N,3-dimethyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(-c2ccccc2)c2sc(C(=O)N(C)CCO)cc12.
What is the InChIKey of N-(2-hydroxyethyl)-N,3-dimethyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is JRQHJUZCRAPCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-11-13-10-14(15(21)18(2)8-9-20)22-16(13)19(17-11)12-6-4-3-5-7-12/h3-7,10,20H,8-9H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-N,3-dimethyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
N-(2-hydroxyethyl)-N,3-dimethyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N,3-dimethyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 110878059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).