N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-1-propan-2-ylpyrazole-4-carboxamide

C12H17N5O3 — CID 70736184

IUPACN-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCc1nonc1OCCNC(=O)c1cnn(C(C)C)c1
InChIInChI=1S/C12H17N5O3/c1-8(2)17-7-10(6-14-17)11(18)13-4-5-19-12-9(3)15-20-16-12/h6-8H,4-5H2,1-3H3,(H,13,18)
InChIKeyZMQACDDXFSKXDD-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.96
Rot. Bonds6

About N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-1-propan-2-ylpyrazole-4-carboxamide

N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 70736184) has the molecular formula C12H17N5O3 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID70736184
Molecular FormulaC12H17N5O3
Molecular Weight279.30 g/mol
Exact Mass279.13
IUPAC NameN-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCc1nonc1OCCNC(=O)c1cnn(C(C)C)c1
InChIInChI=1S/C12H17N5O3/c1-8(2)17-7-10(6-14-17)11(18)13-4-5-19-12-9(3)15-20-16-12/h6-8H,4-5H2,1-3H3,(H,13,18)
InChIKeyZMQACDDXFSKXDD-UHFFFAOYSA-N
XLogP0.96
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pyrazolo[4,5-b]pyridine-6-carboxamide
CID 157018704
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 70761740
N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pyrazolo[1,5-a]pyridine-7-carboxamide
CID 56899511
N,1-di(propan-2-yl)pyrazole-4-carboxamide
CID 177272297
N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]isoquinoline-1-carboxamide
CID 119069013
N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 90650767
4-(2,4-dioxoimidazolidin-1-yl)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]benzamide
CID 72852410
2-[4-(3-ethoxypropylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19622068
N-methoxy-1-propan-2-ylpyrazole-4-carboxamide
CID 130683619
3-fluoro-7-methyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 119073719
(1R)-2,2-dimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]cyclopropane-1-carboxamide
CID 126423652
2-indazol-1-yl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]acetamide
CID 90652276

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-1-propan-2-ylpyrazole-4-carboxamide (CID 70736184) is N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-1-propan-2-ylpyrazole-4-carboxamide is Cc1nonc1OCCNC(=O)c1cnn(C(C)C)c1.
What is the InChIKey of N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is ZMQACDDXFSKXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O3/c1-8(2)17-7-10(6-14-17)11(18)13-4-5-19-12-9(3)15-20-16-12/h6-8H,4-5H2,1-3H3,(H,13,18).
What are the key properties of N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-1-propan-2-ylpyrazole-4-carboxamide?
N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 70736184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).