N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide

C14H17N7O3 — CID 121022168

IUPACN-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCCn1cc(-c2noc(CNC(=O)c3cn(C)nc3OC)n2)cn1
InChIInChI=1S/C14H17N7O3/c1-4-21-7-9(5-16-21)12-17-11(24-19-12)6-15-13(22)10-8-20(2)18-14(10)23-3/h5,7-8H,4,6H2,1-3H3,(H,15,22)
InChIKeyKBRZOISCFXWICZ-UHFFFAOYSA-N
MW331.34 g/mol
LogP0.63
Rot. Bonds6

About N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide

N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide (PubChem CID 121022168) has the molecular formula C14H17N7O3 and a molecular weight of 331.34 g/mol. Its IUPAC name is N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide
PubChem CID121022168
Molecular FormulaC14H17N7O3
Molecular Weight331.34 g/mol
Exact Mass331.14
IUPAC NameN-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCCn1cc(-c2noc(CNC(=O)c3cn(C)nc3OC)n2)cn1
InChIInChI=1S/C14H17N7O3/c1-4-21-7-9(5-16-21)12-17-11(24-19-12)6-15-13(22)10-8-20(2)18-14(10)23-3/h5,7-8H,4,6H2,1-3H3,(H,15,22)
InChIKeyKBRZOISCFXWICZ-UHFFFAOYSA-N
XLogP0.63
TPSA112.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

1-[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
CID 121199999
3-methoxy-N,1-dimethyl-N-[2-oxo-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]ethyl]pyrazole-4-carboxamide
CID 121092039
N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylmethoxyacetamide
CID 121022184
N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-4-carboxamide
CID 119104925
3-fluoro-4-methoxy-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 121022135
3-chloro-N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxybenzenesulfonamide
CID 119104989
N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 119104940
2-(difluoromethylsulfonyl)-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 121195077
3-methoxy-1-methyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazole-4-carboxamide
CID 71800518
4-chloro-1-ethyl-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazole-3-carboxamide
CID 91818673
2-chloro-N-[[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 46128986
2-iodo-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 50874673

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide (CID 121022168) is N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide is CCn1cc(-c2noc(CNC(=O)c3cn(C)nc3OC)n2)cn1.
What is the InChIKey of N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The InChIKey is KBRZOISCFXWICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7O3/c1-4-21-7-9(5-16-21)12-17-11(24-19-12)6-15-13(22)10-8-20(2)18-14(10)23-3/h5,7-8H,4,6H2,1-3H3,(H,15,22).
What are the key properties of N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide has a molecular weight of 331.34 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 121022168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).