N,N-diethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide

C12H17N3OS — CID 60708120

IUPACN,N-diethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCCN(CC)C(=O)c1cc2c(C)nn(C)c2s1
InChIInChI=1S/C12H17N3OS/c1-5-15(6-2)11(16)10-7-9-8(3)13-14(4)12(9)17-10/h7H,5-6H2,1-4H3
InChIKeyKYPUHZKAVHDOMD-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.43
Rot. Bonds3

About N,N-diethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide

N,N-diethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 60708120) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is N,N-diethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID60708120
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC NameN,N-diethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCCN(CC)C(=O)c1cc2c(C)nn(C)c2s1
InChIInChI=1S/C12H17N3OS/c1-5-15(6-2)11(16)10-7-9-8(3)13-14(4)12(9)17-10/h7H,5-6H2,1-4H3
InChIKeyKYPUHZKAVHDOMD-UHFFFAOYSA-N
XLogP2.43
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-bis(2-hydroxyethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 61233617
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)-propylamino]acetic acid
CID 61008919
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
2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)-prop-2-enylamino]acetic acid
CID 79264269
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51314651
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-[(5-chlorothiophen-2-yl)methyl]-N,1,3-trimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51305145
N-(3,5-dimethylphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51304581

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N,N-diethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide (CID 60708120) is N,N-diethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N,N-diethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N,N-diethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide is CCN(CC)C(=O)c1cc2c(C)nn(C)c2s1.
What is the InChIKey of N,N-diethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is KYPUHZKAVHDOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-5-15(6-2)11(16)10-7-9-8(3)13-14(4)12(9)17-10/h7H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
N,N-diethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 251.35 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 60708120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).