N-[1-(2-methoxyethyl)piperidin-4-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

C21H26N4O2S — CID 48505983

IUPACN-[1-(2-methoxyethyl)piperidin-4-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCOCCN1CCC(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)CC1
InChIInChI=1S/C21H26N4O2S/c1-15-18-14-19(28-21(18)25(23-15)17-6-4-3-5-7-17)20(26)22-16-8-10-24(11-9-16)12-13-27-2/h3-7,14,16H,8-13H2,1-2H3,(H,22,26)
InChIKeyOUROSHVXPQVYFG-UHFFFAOYSA-N
MW398.53 g/mol
LogP3.24
Rot. Bonds6

About N-[1-(2-methoxyethyl)piperidin-4-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

N-[1-(2-methoxyethyl)piperidin-4-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 48505983) has the molecular formula C21H26N4O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)piperidin-4-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)piperidin-4-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID48505983
Molecular FormulaC21H26N4O2S
Molecular Weight398.53 g/mol
Exact Mass398.18
IUPAC NameN-[1-(2-methoxyethyl)piperidin-4-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCOCCN1CCC(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)CC1
InChIInChI=1S/C21H26N4O2S/c1-15-18-14-19(28-21(18)25(23-15)17-6-4-3-5-7-17)20(26)22-16-8-10-24(11-9-16)12-13-27-2/h3-7,14,16H,8-13H2,1-2H3,(H,22,26)
InChIKeyOUROSHVXPQVYFG-UHFFFAOYSA-N
XLogP3.24
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclohexyl]carbamic acid
CID 66819242
methyl 4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclohexane-1-carboxylate
CID 66819290
N-[4-(4-methoxypiperidin-1-yl)cyclohexyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 66819697
3-methyl-1-phenyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119450686
N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 27744208
[methyl-[[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclohexyl]carbamoyl]amino] acetate
CID 89437726
N-[4-[4-(dimethylamino)piperidin-1-yl]cyclohexyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 66819473
3-methyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 66819147
3-methyl-1-phenyl-N-(2-piperazin-1-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 119445953
1-(4-chlorophenyl)-N-cyclopropyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 947337
cis-(1R,3R)-1-methyl-3-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66819487
3-methyl-N'-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide
CID 3226614

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)piperidin-4-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-[1-(2-methoxyethyl)piperidin-4-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (CID 48505983) is N-[1-(2-methoxyethyl)piperidin-4-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyethyl)piperidin-4-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-[1-(2-methoxyethyl)piperidin-4-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is COCCN1CCC(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)CC1.
What is the InChIKey of N-[1-(2-methoxyethyl)piperidin-4-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is OUROSHVXPQVYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2S/c1-15-18-14-19(28-21(18)25(23-15)17-6-4-3-5-7-17)20(26)22-16-8-10-24(11-9-16)12-13-27-2/h3-7,14,16H,8-13H2,1-2H3,(H,22,26).
What are the key properties of N-[1-(2-methoxyethyl)piperidin-4-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
N-[1-(2-methoxyethyl)piperidin-4-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 398.53 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)piperidin-4-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 48505983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).