N-cyclopropyl-N-(furan-2-ylmethyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

C21H19N3O2S — CID 46569657

IUPACN-cyclopropyl-N-(furan-2-ylmethyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)N(Cc3ccco3)C3CC3)cc12
InChIInChI=1S/C21H19N3O2S/c1-14-18-12-19(27-21(18)24(22-14)16-6-3-2-4-7-16)20(25)23(15-9-10-15)13-17-8-5-11-26-17/h2-8,11-12,15H,9-10,13H2,1H3
InChIKeyLYLCGCWVYAMXQD-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.79
Rot. Bonds5

About N-cyclopropyl-N-(furan-2-ylmethyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

N-cyclopropyl-N-(furan-2-ylmethyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 46569657) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-cyclopropyl-N-(furan-2-ylmethyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(furan-2-ylmethyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID46569657
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC NameN-cyclopropyl-N-(furan-2-ylmethyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)N(Cc3ccco3)C3CC3)cc12
InChIInChI=1S/C21H19N3O2S/c1-14-18-12-19(27-21(18)24(22-14)16-6-3-2-4-7-16)20(25)23(15-9-10-15)13-17-8-5-11-26-17/h2-8,11-12,15H,9-10,13H2,1H3
InChIKeyLYLCGCWVYAMXQD-UHFFFAOYSA-N
XLogP4.79
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-N-(furan-2-ylmethyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 78883208
N-(2-hydroxyethyl)-3-methyl-1-phenyl-N-propylthieno[3,2-d]pyrazole-5-carboxamide
CID 110878541
3-methyl-N'-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide
CID 3226614
N,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 51126802
[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxylate
CID 3627450
[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclohexyl]carbamic acid
CID 66819242
N-cyclopropyl-N-(furan-2-ylmethyl)benzamide
CID 47022966
N-benzyl-1-(4-fluorophenyl)-N,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 27665838
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-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-cyclopentyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 3206569
(2,6-dimethylmorpholin-4-yl)-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 4083726

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(furan-2-ylmethyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-N-(furan-2-ylmethyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (CID 46569657) is N-cyclopropyl-N-(furan-2-ylmethyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(furan-2-ylmethyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(furan-2-ylmethyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(-c2ccccc2)c2sc(C(=O)N(Cc3ccco3)C3CC3)cc12.
What is the InChIKey of N-cyclopropyl-N-(furan-2-ylmethyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is LYLCGCWVYAMXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-14-18-12-19(27-21(18)24(22-14)16-6-3-2-4-7-16)20(25)23(15-9-10-15)13-17-8-5-11-26-17/h2-8,11-12,15H,9-10,13H2,1H3.
What are the key properties of N-cyclopropyl-N-(furan-2-ylmethyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
N-cyclopropyl-N-(furan-2-ylmethyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(furan-2-ylmethyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 46569657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).