N-benzyl-1-(4-fluorophenyl)-N,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide

C21H18FN3OS — CID 27665838

IUPACN-benzyl-1-(4-fluorophenyl)-N,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c2sc(C(=O)N(C)Cc3ccccc3)cc12
InChIInChI=1S/C21H18FN3OS/c1-14-18-12-19(20(26)24(2)13-15-6-4-3-5-7-15)27-21(18)25(23-14)17-10-8-16(22)9-11-17/h3-12H,13H2,1-2H3
InChIKeyUDPKULYODXSKNW-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.81
Rot. Bonds4

About N-benzyl-1-(4-fluorophenyl)-N,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide

N-benzyl-1-(4-fluorophenyl)-N,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 27665838) has the molecular formula C21H18FN3OS and a molecular weight of 379.46 g/mol. Its IUPAC name is N-benzyl-1-(4-fluorophenyl)-N,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(4-fluorophenyl)-N,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID27665838
Molecular FormulaC21H18FN3OS
Molecular Weight379.46 g/mol
Exact Mass379.12
IUPAC NameN-benzyl-1-(4-fluorophenyl)-N,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c2sc(C(=O)N(C)Cc3ccccc3)cc12
InChIInChI=1S/C21H18FN3OS/c1-14-18-12-19(20(26)24(2)13-15-6-4-3-5-7-15)27-21(18)25(23-14)17-10-8-16(22)9-11-17/h3-12H,13H2,1-2H3
InChIKeyUDPKULYODXSKNW-UHFFFAOYSA-N
XLogP4.81
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[benzyl(ethyl)amino]ethyl]-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 53020512
N-[(2,3-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)-N,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 18272883
N-benzyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 3189661
N-(2-hydroxyethyl)-N,3-dimethyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 110878059
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-(4-fluorophenyl)-N,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 27788265
N,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 51126802
N-benzyl-N-(2-methoxyethyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 27826735
1-(4-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 55369409
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-1-(4-fluorophenyl)-N,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 27807970
1-(4-fluorophenyl)-N-(2-hydroxyethyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 78794561
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 16575164
1-(4-fluorophenyl)-N,3-dimethyl-N-piperidin-4-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119441142

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(4-fluorophenyl)-N,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-benzyl-1-(4-fluorophenyl)-N,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide (CID 27665838) is N-benzyl-1-(4-fluorophenyl)-N,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-benzyl-1-(4-fluorophenyl)-N,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-benzyl-1-(4-fluorophenyl)-N,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N(C)Cc3ccccc3)cc12.
What is the InChIKey of N-benzyl-1-(4-fluorophenyl)-N,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is UDPKULYODXSKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3OS/c1-14-18-12-19(20(26)24(2)13-15-6-4-3-5-7-15)27-21(18)25(23-14)17-10-8-16(22)9-11-17/h3-12H,13H2,1-2H3.
What are the key properties of N-benzyl-1-(4-fluorophenyl)-N,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
N-benzyl-1-(4-fluorophenyl)-N,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(4-fluorophenyl)-N,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 27665838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).