N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide

C17H14N6O2S — CID 70716110

IUPACN-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide
SMILESCN(Cc1nc(-c2cccnc2)no1)C(=O)c1cn[nH]c1-c1cccs1
InChIInChI=1S/C17H14N6O2S/c1-23(10-14-20-16(22-25-14)11-4-2-6-18-8-11)17(24)12-9-19-21-15(12)13-5-3-7-26-13/h2-9H,10H2,1H3,(H,19,21)
InChIKeyFEPZLBNBNGVMNK-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.86
Rot. Bonds5

About N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide

N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide (PubChem CID 70716110) has the molecular formula C17H14N6O2S and a molecular weight of 366.41 g/mol. Its IUPAC name is N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide
PubChem CID70716110
Molecular FormulaC17H14N6O2S
Molecular Weight366.41 g/mol
Exact Mass366.09
IUPAC NameN-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide
SMILESCN(Cc1nc(-c2cccnc2)no1)C(=O)c1cn[nH]c1-c1cccs1
InChIInChI=1S/C17H14N6O2S/c1-23(10-14-20-16(22-25-14)11-4-2-6-18-8-11)17(24)12-9-19-21-15(12)13-5-3-7-26-13/h2-9H,10H2,1H3,(H,19,21)
InChIKeyFEPZLBNBNGVMNK-UHFFFAOYSA-N
XLogP2.86
TPSA100.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,5-dimethyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-indazole-7-carboxamide
CID 155947626
N-methyl-2,4-dioxo-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrimidine-6-carboxamide
CID 70736396
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 70717806
3-ethyl-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-indole-2-carboxamide
CID 70754814
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide
CID 47067759
N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 90562395
(2R)-N-methyl-2-pyrazol-1-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 97143739
N-methyl-2-phenylsulfanyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 50874859
2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)acetamide
CID 173127874
1,1-difluoro-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-one
CID 55203346
methyl 2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79474655
N-methyl-2-[methyl(pyridin-3-ylmethyl)amino]-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 70760900

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide (CID 70716110) is N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide is CN(Cc1nc(-c2cccnc2)no1)C(=O)c1cn[nH]c1-c1cccs1.
What is the InChIKey of N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide?
The InChIKey is FEPZLBNBNGVMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2S/c1-23(10-14-20-16(22-25-14)11-4-2-6-18-8-11)17(24)12-9-19-21-15(12)13-5-3-7-26-13/h2-9H,10H2,1H3,(H,19,21).
What are the key properties of N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide?
N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide has a molecular weight of 366.41 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 70716110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).