N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide

C19H23FN4OS — CID 60598745

IUPACN-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c2sc(C(=O)N(CCN(C)C)Cc3cccc(F)c3)cc12
InChIInChI=1S/C19H23FN4OS/c1-13-16-11-17(26-19(16)23(4)21-13)18(25)24(9-8-22(2)3)12-14-6-5-7-15(20)10-14/h5-7,10-11H,8-9,12H2,1-4H3
InChIKeyOCNUCSZPAHKHDP-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.29
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide

N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 60598745) has the molecular formula C19H23FN4OS and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID60598745
Molecular FormulaC19H23FN4OS
Molecular Weight374.49 g/mol
Exact Mass374.16
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c2sc(C(=O)N(CCN(C)C)Cc3cccc(F)c3)cc12
InChIInChI=1S/C19H23FN4OS/c1-13-16-11-17(26-19(16)23(4)21-13)18(25)24(9-8-22(2)3)12-14-6-5-7-15(20)10-14/h5-7,10-11H,8-9,12H2,1-4H3
InChIKeyOCNUCSZPAHKHDP-UHFFFAOYSA-N
XLogP3.29
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-1,3-dimethyl-N-pentylthieno[3,2-d]pyrazole-5-carboxamide
CID 55495175
N,N-diethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 60708120
N,N-bis(2-hydroxyethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 61233617
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51314651
N-(2,4-difluorophenyl)-1,3-dimethyl-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 55887371
3-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)-ethylamino]-2-methylpropanoic acid
CID 62826667
N-benzyl-N-(2-methoxyethyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 27826735
N-[(5-chlorothiophen-2-yl)methyl]-N,1,3-trimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51305145
N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-4-methylsulfonylbenzamide
CID 51127416
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 29426195
N-benzyl-1-(4-fluorophenyl)-N,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 27665838
N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-3,5-dinitrobenzamide
CID 60598595

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide (CID 60598745) is N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(C)c2sc(C(=O)N(CCN(C)C)Cc3cccc(F)c3)cc12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is OCNUCSZPAHKHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4OS/c1-13-16-11-17(26-19(16)23(4)21-13)18(25)24(9-8-22(2)3)12-14-6-5-7-15(20)10-14/h5-7,10-11H,8-9,12H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 60598745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).