N,N-bis(2-hydroxyethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide

C12H17N3O3S — CID 61233617

IUPACN,N-bis(2-hydroxyethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c2sc(C(=O)N(CCO)CCO)cc12
InChIInChI=1S/C12H17N3O3S/c1-8-9-7-10(19-12(9)14(2)13-8)11(18)15(3-5-16)4-6-17/h7,16-17H,3-6H2,1-2H3
InChIKeyIHASTWHUSOASKU-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.37
Rot. Bonds5

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

N,N-bis(2-hydroxyethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 61233617) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID61233617
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC NameN,N-bis(2-hydroxyethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c2sc(C(=O)N(CCO)CCO)cc12
InChIInChI=1S/C12H17N3O3S/c1-8-9-7-10(19-12(9)14(2)13-8)11(18)15(3-5-16)4-6-17/h7,16-17H,3-6H2,1-2H3
InChIKeyIHASTWHUSOASKU-UHFFFAOYSA-N
XLogP0.37
TPSA78.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 60708120
2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)-propylamino]acetic acid
CID 61008919
N-(2-hydroxyethyl)-3-methyl-1-phenyl-N-propylthieno[3,2-d]pyrazole-5-carboxamide
CID 110878541
3-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)-ethylamino]-2-methylpropanoic acid
CID 62826667
2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)-prop-2-enylamino]acetic acid
CID 79264269
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 29426195
N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 60706910
N-[(4-fluorophenyl)methyl]-1,3-dimethyl-N-pentylthieno[3,2-d]pyrazole-5-carboxamide
CID 55495175
N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 60598745
N,1,3-trimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 60708571
N-(2-hydroxyethyl)-N,3-dimethyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 110878059
N,1,3-trimethyl-N-(2-phenoxyethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 51304910

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide (CID 61233617) is N,N-bis(2-hydroxyethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(C)c2sc(C(=O)N(CCO)CCO)cc12.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is IHASTWHUSOASKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-8-9-7-10(19-12(9)14(2)13-8)11(18)15(3-5-16)4-6-17/h7,16-17H,3-6H2,1-2H3.
What are the key properties of N,N-bis(2-hydroxyethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
N,N-bis(2-hydroxyethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 283.35 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 61233617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).