3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrazole-5-carboxamide

C17H19N7O2 — CID 120957058

IUPAC3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrazole-5-carboxamide
SMILESCN1CCNCC1c1noc(-c2cc(C(N)=O)n(-c3ccccc3)n2)n1
InChIInChI=1S/C17H19N7O2/c1-23-8-7-19-10-14(23)16-20-17(26-22-16)12-9-13(15(18)25)24(21-12)11-5-3-2-4-6-11/h2-6,9,14,19H,7-8,10H2,1H3,(H2,18,25)
InChIKeyREQBOPBZVXSYJA-UHFFFAOYSA-N
MW353.39 g/mol
LogP0.60
Rot. Bonds4

About 3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrazole-5-carboxamide

3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrazole-5-carboxamide (PubChem CID 120957058) has the molecular formula C17H19N7O2 and a molecular weight of 353.39 g/mol. Its IUPAC name is 3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrazole-5-carboxamide
PubChem CID120957058
Molecular FormulaC17H19N7O2
Molecular Weight353.39 g/mol
Exact Mass353.16
IUPAC Name3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrazole-5-carboxamide
SMILESCN1CCNCC1c1noc(-c2cc(C(N)=O)n(-c3ccccc3)n2)n1
InChIInChI=1S/C17H19N7O2/c1-23-8-7-19-10-14(23)16-20-17(26-22-16)12-9-13(15(18)25)24(21-12)11-5-3-2-4-6-11/h2-6,9,14,19H,7-8,10H2,1H3,(H2,18,25)
InChIKeyREQBOPBZVXSYJA-UHFFFAOYSA-N
XLogP0.60
TPSA115.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2-phenylpyridazin-3-one;hydrochloride
CID 120958039
3-(1-methylpiperazin-2-yl)-5-(1-phenyltriazol-4-yl)-1,2,4-oxadiazole;hydrochloride
CID 120960090
[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]urea;hydrochloride
CID 120957411
2-benzyl-6-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyridazin-3-one
CID 120957494
3-(1-methylpiperazin-2-yl)-5-(2-phenyl-1,3-thiazol-4-yl)-1,2,4-oxadiazole
CID 120960263
5-(3-methyl-1-phenylpyrazol-4-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120958592
5-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120959189
5-(2-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120959013
N-methyl-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]benzamide
CID 120956116
1,1-dimethyl-3-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]urea
CID 120958743
2-[2-methoxy-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide;hydrochloride
CID 120958852
5-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956487

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrazole-5-carboxamide?
The IUPAC name of 3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrazole-5-carboxamide (CID 120957058) is 3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for 3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrazole-5-carboxamide is CN1CCNCC1c1noc(-c2cc(C(N)=O)n(-c3ccccc3)n2)n1.
What is the InChIKey of 3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrazole-5-carboxamide?
The InChIKey is REQBOPBZVXSYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O2/c1-23-8-7-19-10-14(23)16-20-17(26-22-16)12-9-13(15(18)25)24(21-12)11-5-3-2-4-6-11/h2-6,9,14,19H,7-8,10H2,1H3,(H2,18,25).
What are the key properties of 3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrazole-5-carboxamide?
3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrazole-5-carboxamide has a molecular weight of 353.39 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 120957058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).