N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,5-dimethylpyrazole-4-carboxamide

C11H15N5O3 — CID 119062020

IUPACN-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCc2noc(CO)n2)cnn1C
InChIInChI=1S/C11H15N5O3/c1-7-8(5-13-16(7)2)11(18)12-4-3-9-14-10(6-17)19-15-9/h5,17H,3-4,6H2,1-2H3,(H,12,18)
InChIKeyHWGLWUCNNPERNO-UHFFFAOYSA-N
MW265.27 g/mol
LogP-0.42
Rot. Bonds5

About N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,5-dimethylpyrazole-4-carboxamide

N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 119062020) has the molecular formula C11H15N5O3 and a molecular weight of 265.27 g/mol. Its IUPAC name is N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,5-dimethylpyrazole-4-carboxamide
PubChem CID119062020
Molecular FormulaC11H15N5O3
Molecular Weight265.27 g/mol
Exact Mass265.12
IUPAC NameN-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCc2noc(CO)n2)cnn1C
InChIInChI=1S/C11H15N5O3/c1-7-8(5-13-16(7)2)11(18)12-4-3-9-14-10(6-17)19-15-9/h5,17H,3-4,6H2,1-2H3,(H,12,18)
InChIKeyHWGLWUCNNPERNO-UHFFFAOYSA-N
XLogP-0.42
TPSA106.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,5-dimethylpyrazole-4-carboxamide (CID 119062020) is N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,5-dimethylpyrazole-4-carboxamide is Cc1c(C(=O)NCCc2noc(CO)n2)cnn1C.
What is the InChIKey of N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is HWGLWUCNNPERNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3/c1-7-8(5-13-16(7)2)11(18)12-4-3-9-14-10(6-17)19-15-9/h5,17H,3-4,6H2,1-2H3,(H,12,18).
What are the key properties of N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,5-dimethylpyrazole-4-carboxamide?
N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,5-dimethylpyrazole-4-carboxamide has a molecular weight of 265.27 g/mol, XLogP of -0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 119062020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).